N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide

C13H18N4O — CID 124608462

IUPACN-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)N[C@@H](C)c1cnn(C)c1C
InChIInChI=1S/C13H18N4O/c1-8-11(5-6-14-8)13(18)16-9(2)12-7-15-17(4)10(12)3/h5-7,9,14H,1-4H3,(H,16,18)/t9-/m0/s1
InChIKeyCTMWLICZQLGQGM-VIFPVBQESA-N
MW246.31 g/mol
LogP1.86
Rot. Bonds3

About N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide

N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide (PubChem CID 124608462) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
PubChem CID124608462
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)N[C@@H](C)c1cnn(C)c1C
InChIInChI=1S/C13H18N4O/c1-8-11(5-6-14-8)13(18)16-9(2)12-7-15-17(4)10(12)3/h5-7,9,14H,1-4H3,(H,16,18)/t9-/m0/s1
InChIKeyCTMWLICZQLGQGM-VIFPVBQESA-N
XLogP1.86
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide (CID 124608462) is N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide is Cc1[nH]ccc1C(=O)N[C@@H](C)c1cnn(C)c1C.
What is the InChIKey of N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is CTMWLICZQLGQGM-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18N4O/c1-8-11(5-6-14-8)13(18)16-9(2)12-7-15-17(4)10(12)3/h5-7,9,14H,1-4H3,(H,16,18)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide?
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 124608462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).