4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide

C10H13N5O — CID 61140004

IUPAC4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCc1[nH]ncc1CNC(=O)c1cc(N)c[nH]1
InChIInChI=1S/C10H13N5O/c1-6-7(4-14-15-6)3-13-10(16)9-2-8(11)5-12-9/h2,4-5,12H,3,11H2,1H3,(H,13,16)(H,14,15)
InChIKeyAHOCBEFHKYGBCC-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.56
Rot. Bonds3

About 4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide

4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 61140004) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID61140004
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCc1[nH]ncc1CNC(=O)c1cc(N)c[nH]1
InChIInChI=1S/C10H13N5O/c1-6-7(4-14-15-6)3-13-10(16)9-2-8(11)5-12-9/h2,4-5,12H,3,11H2,1H3,(H,13,16)(H,14,15)
InChIKeyAHOCBEFHKYGBCC-UHFFFAOYSA-N
XLogP0.56
TPSA99.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 60768162
4-amino-N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 55121841
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 54896283
2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 61003845
5-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indazole-3-carboxamide
CID 61140575
3-amino-2,5-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 107120776
2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736020
3,4,5-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 63186397
3-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 61139058
6-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 103542950
N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 79531339
N-[(5-methyl-1H-pyrazol-4-yl)methyl]but-2-ynamide
CID 107989822

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide (CID 61140004) is 4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide is Cc1[nH]ncc1CNC(=O)c1cc(N)c[nH]1.
What is the InChIKey of 4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is AHOCBEFHKYGBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-6-7(4-14-15-6)3-13-10(16)9-2-8(11)5-12-9/h2,4-5,12H,3,11H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide?
4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 219.25 g/mol, XLogP of 0.56, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 61140004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).