4-(methylamino)-N-propan-2-yl-1H-pyrazole-5-carboxamide

C8H14N4O — CID 89177147

IUPAC4-(methylamino)-N-propan-2-yl-1H-pyrazole-5-carboxamide
SMILESCNc1cn[nH]c1C(=O)NC(C)C
InChIInChI=1S/C8H14N4O/c1-5(2)11-8(13)7-6(9-3)4-10-12-7/h4-5,9H,1-3H3,(H,10,12)(H,11,13)
InChIKeyHHSWLDQBNYAJGV-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.59
Rot. Bonds3

About 4-(methylamino)-N-propan-2-yl-1H-pyrazole-5-carboxamide

4-(methylamino)-N-propan-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 89177147) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 4-(methylamino)-N-propan-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(methylamino)-N-propan-2-yl-1H-pyrazole-5-carboxamide
PubChem CID89177147
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name4-(methylamino)-N-propan-2-yl-1H-pyrazole-5-carboxamide
SMILESCNc1cn[nH]c1C(=O)NC(C)C
InChIInChI=1S/C8H14N4O/c1-5(2)11-8(13)7-6(9-3)4-10-12-7/h4-5,9H,1-3H3,(H,10,12)(H,11,13)
InChIKeyHHSWLDQBNYAJGV-UHFFFAOYSA-N
XLogP0.59
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-propan-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-(methylamino)-N-propan-2-yl-1H-pyrazole-5-carboxamide (CID 89177147) is 4-(methylamino)-N-propan-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-(methylamino)-N-propan-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-(methylamino)-N-propan-2-yl-1H-pyrazole-5-carboxamide is CNc1cn[nH]c1C(=O)NC(C)C.
What is the InChIKey of 4-(methylamino)-N-propan-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is HHSWLDQBNYAJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-5(2)11-8(13)7-6(9-3)4-10-12-7/h4-5,9H,1-3H3,(H,10,12)(H,11,13).
What are the key properties of 4-(methylamino)-N-propan-2-yl-1H-pyrazole-5-carboxamide?
4-(methylamino)-N-propan-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 182.23 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-propan-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 89177147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).