4-benzyl-N-cyclopropyl-N-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide

C23H26N4O — CID 166286942

IUPAC4-benzyl-N-cyclopropyl-N-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCn1cc([C@@H]2C[C@H]2CN(C(=O)c2cc(Cc3ccccc3)c[nH]2)C2CC2)cn1
InChIInChI=1S/C23H26N4O/c1-26-14-19(13-25-26)21-11-18(21)15-27(20-7-8-20)23(28)22-10-17(12-24-22)9-16-5-3-2-4-6-16/h2-6,10,12-14,18,20-21,24H,7-9,11,15H2,1H3/t18-,21+/m0/s1
InChIKeyVLSJPMZEGUVAJD-GHTZIAJQSA-N
MW374.49 g/mol
LogP3.75
Rot. Bonds7

About 4-benzyl-N-cyclopropyl-N-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide

4-benzyl-N-cyclopropyl-N-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 166286942) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-benzyl-N-cyclopropyl-N-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-cyclopropyl-N-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID166286942
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name4-benzyl-N-cyclopropyl-N-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCn1cc([C@@H]2C[C@H]2CN(C(=O)c2cc(Cc3ccccc3)c[nH]2)C2CC2)cn1
InChIInChI=1S/C23H26N4O/c1-26-14-19(13-25-26)21-11-18(21)15-27(20-7-8-20)23(28)22-10-17(12-24-22)9-16-5-3-2-4-6-16/h2-6,10,12-14,18,20-21,24H,7-9,11,15H2,1H3/t18-,21+/m0/s1
InChIKeyVLSJPMZEGUVAJD-GHTZIAJQSA-N
XLogP3.75
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-cyclopropyl-N-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-benzyl-N-cyclopropyl-N-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide (CID 166286942) is 4-benzyl-N-cyclopropyl-N-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-benzyl-N-cyclopropyl-N-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-benzyl-N-cyclopropyl-N-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide is Cn1cc([C@@H]2C[C@H]2CN(C(=O)c2cc(Cc3ccccc3)c[nH]2)C2CC2)cn1.
What is the InChIKey of 4-benzyl-N-cyclopropyl-N-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is VLSJPMZEGUVAJD-GHTZIAJQSA-N. The full InChI is InChI=1S/C23H26N4O/c1-26-14-19(13-25-26)21-11-18(21)15-27(20-7-8-20)23(28)22-10-17(12-24-22)9-16-5-3-2-4-6-16/h2-6,10,12-14,18,20-21,24H,7-9,11,15H2,1H3/t18-,21+/m0/s1.
What are the key properties of 4-benzyl-N-cyclopropyl-N-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide?
4-benzyl-N-cyclopropyl-N-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-cyclopropyl-N-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 166286942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).