4-acetyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1H-pyrrole-2-carboxamide

C16H15N5O2 — CID 51101878

IUPAC4-acetyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)Nc2ccn(Cc3ccncc3)n2)c1
InChIInChI=1S/C16H15N5O2/c1-11(22)13-8-14(18-9-13)16(23)19-15-4-7-21(20-15)10-12-2-5-17-6-3-12/h2-9,18H,10H2,1H3,(H,19,20,23)
InChIKeyRGPDDNQWZIGVEZ-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.11
Rot. Bonds5

About 4-acetyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1H-pyrrole-2-carboxamide

4-acetyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1H-pyrrole-2-carboxamide (PubChem CID 51101878) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 4-acetyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1H-pyrrole-2-carboxamide
PubChem CID51101878
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name4-acetyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)Nc2ccn(Cc3ccncc3)n2)c1
InChIInChI=1S/C16H15N5O2/c1-11(22)13-8-14(18-9-13)16(23)19-15-4-7-21(20-15)10-12-2-5-17-6-3-12/h2-9,18H,10H2,1H3,(H,19,20,23)
InChIKeyRGPDDNQWZIGVEZ-UHFFFAOYSA-N
XLogP2.11
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-2H-benzotriazole-5-carboxamide
CID 51101879
N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 51101500
4-methylbenzoic acid;4-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]benzamide;1-(pyridin-4-ylmethyl)pyrazol-3-amine
CID 163685789
N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 51129992
4-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide
CID 119871291
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
CID 19285133
3-(2-oxoimidazolidin-1-yl)-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]benzamide
CID 51129993
5-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]imidazo[1,5-a]pyridine-6-carboxamide
CID 166207454
N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide
CID 19286300
methyl 4-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]benzoate
CID 19285180
8-fluoro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 166339405
1-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19284975

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1H-pyrrole-2-carboxamide (CID 51101878) is 4-acetyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)Nc2ccn(Cc3ccncc3)n2)c1.
What is the InChIKey of 4-acetyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is RGPDDNQWZIGVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-11(22)13-8-14(18-9-13)16(23)19-15-4-7-21(20-15)10-12-2-5-17-6-3-12/h2-9,18H,10H2,1H3,(H,19,20,23).
What are the key properties of 4-acetyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1H-pyrrole-2-carboxamide?
4-acetyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 51101878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).