N-[1-[[5-(2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino]-2-methylpropan-2-yl]-4-methyl-1H-pyrazole-5-carboxamide

C19H21FN6O2 — CID 167745276

IUPACN-[1-[[5-(2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino]-2-methylpropan-2-yl]-4-methyl-1H-pyrazole-5-carboxamide
SMILESCc1cn[nH]c1C(=O)NC(C)(C)CNC(=O)c1cn[nH]c1-c1ccccc1F
InChIInChI=1S/C19H21FN6O2/c1-11-8-22-25-15(11)18(28)24-19(2,3)10-21-17(27)13-9-23-26-16(13)12-6-4-5-7-14(12)20/h4-9H,10H2,1-3H3,(H,21,27)(H,22,25)(H,23,26)(H,24,28)
InChIKeyKNNIRKRVTTVWML-UHFFFAOYSA-N
MW384.42 g/mol
LogP2.19
Rot. Bonds6

About N-[1-[[5-(2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino]-2-methylpropan-2-yl]-4-methyl-1H-pyrazole-5-carboxamide

N-[1-[[5-(2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino]-2-methylpropan-2-yl]-4-methyl-1H-pyrazole-5-carboxamide (PubChem CID 167745276) has the molecular formula C19H21FN6O2 and a molecular weight of 384.42 g/mol. Its IUPAC name is N-[1-[[5-(2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino]-2-methylpropan-2-yl]-4-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[[5-(2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino]-2-methylpropan-2-yl]-4-methyl-1H-pyrazole-5-carboxamide
PubChem CID167745276
Molecular FormulaC19H21FN6O2
Molecular Weight384.42 g/mol
Exact Mass384.17
IUPAC NameN-[1-[[5-(2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino]-2-methylpropan-2-yl]-4-methyl-1H-pyrazole-5-carboxamide
SMILESCc1cn[nH]c1C(=O)NC(C)(C)CNC(=O)c1cn[nH]c1-c1ccccc1F
InChIInChI=1S/C19H21FN6O2/c1-11-8-22-25-15(11)18(28)24-19(2,3)10-21-17(27)13-9-23-26-16(13)12-6-4-5-7-14(12)20/h4-9H,10H2,1-3H3,(H,21,27)(H,22,25)(H,23,26)(H,24,28)
InChIKeyKNNIRKRVTTVWML-UHFFFAOYSA-N
XLogP2.19
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 119628857
5-(2-fluorophenyl)-N-[3-(methylamino)propyl]-1H-pyrazole-4-carboxamide
CID 119432488
5-(2-fluorophenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide
CID 71856768
N-(2-amino-2-methylpropyl)-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;hydrochloride
CID 119630152
5-(2-fluorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]-1H-pyrazole-4-carboxamide
CID 97051849
N-(1-amino-2-methylpropan-2-yl)-4-methyl-1H-pyrazole-5-carboxamide
CID 83617586
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 71922084
5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 171539156
5-(2-fluorophenyl)-N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide
CID 97320264
5-(2-fluorophenyl)-N-(4-imidazol-1-ylbutyl)-1H-pyrazole-4-carboxamide
CID 75378535
N-(1,1-dioxothian-4-yl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 75378460
5-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
CID 120599770

Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-(2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino]-2-methylpropan-2-yl]-4-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-[[5-(2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino]-2-methylpropan-2-yl]-4-methyl-1H-pyrazole-5-carboxamide (CID 167745276) is N-[1-[[5-(2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino]-2-methylpropan-2-yl]-4-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-[[5-(2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino]-2-methylpropan-2-yl]-4-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-[[5-(2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino]-2-methylpropan-2-yl]-4-methyl-1H-pyrazole-5-carboxamide is Cc1cn[nH]c1C(=O)NC(C)(C)CNC(=O)c1cn[nH]c1-c1ccccc1F.
What is the InChIKey of N-[1-[[5-(2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino]-2-methylpropan-2-yl]-4-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is KNNIRKRVTTVWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O2/c1-11-8-22-25-15(11)18(28)24-19(2,3)10-21-17(27)13-9-23-26-16(13)12-6-4-5-7-14(12)20/h4-9H,10H2,1-3H3,(H,21,27)(H,22,25)(H,23,26)(H,24,28).
What are the key properties of N-[1-[[5-(2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino]-2-methylpropan-2-yl]-4-methyl-1H-pyrazole-5-carboxamide?
N-[1-[[5-(2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino]-2-methylpropan-2-yl]-4-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 384.42 g/mol, XLogP of 2.19, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[5-(2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino]-2-methylpropan-2-yl]-4-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 167745276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).