4-amino-1-cyclopropyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide

C11H13N5O — CID 43643716

IUPAC4-amino-1-cyclopropyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide
SMILESNc1cc(C(=O)Nc2cn[nH]c2)n(C2CC2)c1
InChIInChI=1S/C11H13N5O/c12-7-3-10(16(6-7)9-1-2-9)11(17)15-8-4-13-14-5-8/h3-6,9H,1-2,12H2,(H,13,14)(H,15,17)
InChIKeyPFTVDHXRKFUQNP-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.38
Rot. Bonds3

About 4-amino-1-cyclopropyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide

4-amino-1-cyclopropyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide (PubChem CID 43643716) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide
PubChem CID43643716
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name4-amino-1-cyclopropyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide
SMILESNc1cc(C(=O)Nc2cn[nH]c2)n(C2CC2)c1
InChIInChI=1S/C11H13N5O/c12-7-3-10(16(6-7)9-1-2-9)11(17)15-8-4-13-14-5-8/h3-6,9H,1-2,12H2,(H,13,14)(H,15,17)
InChIKeyPFTVDHXRKFUQNP-UHFFFAOYSA-N
XLogP1.38
TPSA88.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-pyrazol-4-yl)pyridine-4-carboxamide
CID 20784958
1-methyl-N-(pyridin-3-yl)-1H-pyrazole-5-carboxamide
CID 649594
3-methyl-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]-1H-pyrazole-5-carbohydrazide
CID 6867363
1H-Pyrazole-3-carboxylic acid (1-methyl-1H-pyrrol-2-ylmethylene)-hydrazide
CID 9556567
3-methyl-N'-(1H-pyrrol-2-ylmethylene)-1H-pyrazole-5-carbohydrazide
CID 135521545
3-N,5-N-bis[5-[(3-amino-3-iminopropyl)carbamoyl]-1-(cyclopropylmethyl)pyrrol-3-yl]-1H-pyrazole-3,5-dicarboxamide
CID 11104088
US10343992, Example 151
CID 122590825
N-[(3R)-1-cyanopyrrolidin-3-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 134363598
US10022354, Example 146
CID 132070200
N-(3-fluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide
CID 136665413
N-(4-fluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide
CID 136665414
N-(2,4-difluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide
CID 136665415

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide (CID 43643716) is 4-amino-1-cyclopropyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide is Nc1cc(C(=O)Nc2cn[nH]c2)n(C2CC2)c1.
What is the InChIKey of 4-amino-1-cyclopropyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide?
The InChIKey is PFTVDHXRKFUQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c12-7-3-10(16(6-7)9-1-2-9)11(17)15-8-4-13-14-5-8/h3-6,9H,1-2,12H2,(H,13,14)(H,15,17).
What are the key properties of 4-amino-1-cyclopropyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 43643716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).