3-amino-N-methyl-5-propyl-1H-pyrazole-4-carboxamide

C8H14N4O — CID 91038562

IUPAC3-amino-N-methyl-5-propyl-1H-pyrazole-4-carboxamide
SMILESCCCc1[nH]nc(N)c1C(=O)NC
InChIInChI=1S/C8H14N4O/c1-3-4-5-6(8(13)10-2)7(9)12-11-5/h3-4H2,1-2H3,(H,10,13)(H3,9,11,12)
InChIKeyNDMWFGQHKSLNPF-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.30
Rot. Bonds3

About 3-amino-N-methyl-5-propyl-1H-pyrazole-4-carboxamide

3-amino-N-methyl-5-propyl-1H-pyrazole-4-carboxamide (PubChem CID 91038562) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 3-amino-N-methyl-5-propyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-propyl-1H-pyrazole-4-carboxamide
PubChem CID91038562
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name3-amino-N-methyl-5-propyl-1H-pyrazole-4-carboxamide
SMILESCCCc1[nH]nc(N)c1C(=O)NC
InChIInChI=1S/C8H14N4O/c1-3-4-5-6(8(13)10-2)7(9)12-11-5/h3-4H2,1-2H3,(H,10,13)(H3,9,11,12)
InChIKeyNDMWFGQHKSLNPF-UHFFFAOYSA-N
XLogP0.30
TPSA83.80 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 ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-5-propyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-propyl-1H-pyrazole-4-carboxamide (CID 91038562) is 3-amino-N-methyl-5-propyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-propyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-propyl-1H-pyrazole-4-carboxamide is CCCc1[nH]nc(N)c1C(=O)NC.
What is the InChIKey of 3-amino-N-methyl-5-propyl-1H-pyrazole-4-carboxamide?
The InChIKey is NDMWFGQHKSLNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-3-4-5-6(8(13)10-2)7(9)12-11-5/h3-4H2,1-2H3,(H,10,13)(H3,9,11,12).
What are the key properties of 3-amino-N-methyl-5-propyl-1H-pyrazole-4-carboxamide?
3-amino-N-methyl-5-propyl-1H-pyrazole-4-carboxamide has a molecular weight of 182.23 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-5-propyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 91038562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).