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

C15H18N4O3 — CID 60544430

IUPAC4-acetyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)Nc2cnn(CC3CCCO3)c2)c1
InChIInChI=1S/C15H18N4O3/c1-10(20)11-5-14(16-6-11)15(21)18-12-7-17-19(8-12)9-13-3-2-4-22-13/h5-8,13,16H,2-4,9H2,1H3,(H,18,21)
InChIKeyDUNAOFSBMMOBFN-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.85
Rot. Bonds5

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

4-acetyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide (PubChem CID 60544430) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-acetyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide
PubChem CID60544430
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name4-acetyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)Nc2cnn(CC3CCCO3)c2)c1
InChIInChI=1S/C15H18N4O3/c1-10(20)11-5-14(16-6-11)15(21)18-12-7-17-19(8-12)9-13-3-2-4-22-13/h5-8,13,16H,2-4,9H2,1H3,(H,18,21)
InChIKeyDUNAOFSBMMOBFN-UHFFFAOYSA-N
XLogP1.85
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrrole-2-carboxamide
CID 48952899
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
CID 165126942
3,5-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxamide
CID 60544723
2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 107903884
4-chloro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145185
1-methoxy-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 75393767
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
CID 129365474
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-5,6,7,8-tetrahydroquinoline-2-carboxamide
CID 71911590
4-[(carbamoylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 136578207
2,5-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]furan-3-carboxamide
CID 119099745
1-(dicyclopropylmethyl)-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 96561422
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 60782178

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide (CID 60544430) is 4-acetyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)Nc2cnn(CC3CCCO3)c2)c1.
What is the InChIKey of 4-acetyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is DUNAOFSBMMOBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-10(20)11-5-14(16-6-11)15(21)18-12-7-17-19(8-12)9-13-3-2-4-22-13/h5-8,13,16H,2-4,9H2,1H3,(H,18,21).
What are the key properties of 4-acetyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide?
4-acetyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.85, 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-(oxolan-2-ylmethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 60544430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).