1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide

C20H23FN6O2 — CID 19514654

IUPAC1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C20H23FN6O2/c1-4-27-11-17(18(26-27)20(29)22-10-12(2)3)23-19(28)16-9-15(24-25-16)13-5-7-14(21)8-6-13/h5-9,11-12H,4,10H2,1-3H3,(H,22,29)(H,23,28)(H,24,25)
InChIKeyMYEMTHWINCLKBV-UHFFFAOYSA-N
MW398.44 g/mol
LogP3.07
Rot. Bonds7

About 1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide

1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide (PubChem CID 19514654) has the molecular formula C20H23FN6O2 and a molecular weight of 398.44 g/mol. Its IUPAC name is 1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
PubChem CID19514654
Molecular FormulaC20H23FN6O2
Molecular Weight398.44 g/mol
Exact Mass398.19
IUPAC Name1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C20H23FN6O2/c1-4-27-11-17(18(26-27)20(29)22-10-12(2)3)23-19(28)16-9-15(24-25-16)13-5-7-14(21)8-6-13/h5-9,11-12H,4,10H2,1-3H3,(H,22,29)(H,23,28)(H,24,25)
InChIKeyMYEMTHWINCLKBV-UHFFFAOYSA-N
XLogP3.07
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 19402672
4-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19398520
1-ethyl-4-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19514042
4-[[3-[(2,4-difluorophenoxy)methyl]benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19402628
1-ethyl-4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19402598
4-(butylcarbamoylamino)-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19448031
N-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119997336
1-ethyl-4-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19511123
4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19525036
1-ethyl-N-(2-methylpropyl)-4-[[1-[(4-phenylphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide
CID 19273568
1-ethyl-4-[(4-methoxy-3-nitrobenzoyl)amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19402551
4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19402566

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide (CID 19514654) is 1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide is CCn1cc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)c(C(=O)NCC(C)C)n1.
What is the InChIKey of 1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide?
The InChIKey is MYEMTHWINCLKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O2/c1-4-27-11-17(18(26-27)20(29)22-10-12(2)3)23-19(28)16-9-15(24-25-16)13-5-7-14(21)8-6-13/h5-9,11-12H,4,10H2,1-3H3,(H,22,29)(H,23,28)(H,24,25).
What are the key properties of 1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide?
1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 3.07, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19514654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).