N-[2-[[2-(dimethylamino)acetyl]amino]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide

C22H25N5O2 — CID 131941004

IUPACN-[2-[[2-(dimethylamino)acetyl]amino]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)Nc3ccccc3NC(=O)CN(C)C)[nH]n2)cc1
InChIInChI=1S/C22H25N5O2/c1-4-15-9-11-16(12-10-15)19-13-20(26-25-19)22(29)24-18-8-6-5-7-17(18)23-21(28)14-27(2)3/h5-13H,4,14H2,1-3H3,(H,23,28)(H,24,29)(H,25,26)
InChIKeyDGSABGHXLBUNTN-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.39
Rot. Bonds7

About N-[2-[[2-(dimethylamino)acetyl]amino]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide

N-[2-[[2-(dimethylamino)acetyl]amino]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 131941004) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[2-[[2-(dimethylamino)acetyl]amino]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(dimethylamino)acetyl]amino]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID131941004
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[2-[[2-(dimethylamino)acetyl]amino]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)Nc3ccccc3NC(=O)CN(C)C)[nH]n2)cc1
InChIInChI=1S/C22H25N5O2/c1-4-15-9-11-16(12-10-15)19-13-20(26-25-19)22(29)24-18-8-6-5-7-17(18)23-21(28)14-27(2)3/h5-13H,4,14H2,1-3H3,(H,23,28)(H,24,29)(H,25,26)
InChIKeyDGSABGHXLBUNTN-UHFFFAOYSA-N
XLogP3.39
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(Z)-benzylideneamino]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide
CID 5402992
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide
CID 20930867
3-(4-ethylphenyl)-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 6044027
methyl 2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]benzoate
CID 45030489
3-(4-ethylphenyl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 134706261
N-[2-[[2-(dimethylamino)acetyl]amino]phenyl]-2-phenylacetamide
CID 131931780
3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856755
N-(2-aminophenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 90908320
3-(4-ethylphenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 135472845
3-(4-ethylphenyl)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
CID 6383435
3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
CID 2677236
methyl 3-phenyl-1H-pyrazole-5-carboxylate
CID 644585

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(dimethylamino)acetyl]amino]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-[[2-(dimethylamino)acetyl]amino]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide (CID 131941004) is N-[2-[[2-(dimethylamino)acetyl]amino]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[[2-(dimethylamino)acetyl]amino]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-[[2-(dimethylamino)acetyl]amino]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide is CCc1ccc(-c2cc(C(=O)Nc3ccccc3NC(=O)CN(C)C)[nH]n2)cc1.
What is the InChIKey of N-[2-[[2-(dimethylamino)acetyl]amino]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is DGSABGHXLBUNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-4-15-9-11-16(12-10-15)19-13-20(26-25-19)22(29)24-18-8-6-5-7-17(18)23-21(28)14-27(2)3/h5-13H,4,14H2,1-3H3,(H,23,28)(H,24,29)(H,25,26).
What are the key properties of N-[2-[[2-(dimethylamino)acetyl]amino]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide?
N-[2-[[2-(dimethylamino)acetyl]amino]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.39, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(dimethylamino)acetyl]amino]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 131941004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).