3-amino-N,N,5-trimethyl-1H-pyrazole-4-carboxamide

C7H12N4O — CID 43159631

IUPAC3-amino-N,N,5-trimethyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)N(C)C
InChIInChI=1S/C7H12N4O/c1-4-5(6(8)10-9-4)7(12)11(2)3/h1-3H3,(H3,8,9,10)
InChIKeyOHGWXNZBYWAEOC-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.00
Rot. Bonds1

About 3-amino-N,N,5-trimethyl-1H-pyrazole-4-carboxamide

3-amino-N,N,5-trimethyl-1H-pyrazole-4-carboxamide (PubChem CID 43159631) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-amino-N,N,5-trimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N,N,5-trimethyl-1H-pyrazole-4-carboxamide
PubChem CID43159631
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name3-amino-N,N,5-trimethyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)N(C)C
InChIInChI=1S/C7H12N4O/c1-4-5(6(8)10-9-4)7(12)11(2)3/h1-3H3,(H3,8,9,10)
InChIKeyOHGWXNZBYWAEOC-UHFFFAOYSA-N
XLogP0.00
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N,5-trimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-N,N,5-trimethyl-1H-pyrazole-4-carboxamide (CID 43159631) is 3-amino-N,N,5-trimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N,N,5-trimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N,N,5-trimethyl-1H-pyrazole-4-carboxamide is Cc1[nH]nc(N)c1C(=O)N(C)C.
What is the InChIKey of 3-amino-N,N,5-trimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is OHGWXNZBYWAEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-4-5(6(8)10-9-4)7(12)11(2)3/h1-3H3,(H3,8,9,10).
What are the key properties of 3-amino-N,N,5-trimethyl-1H-pyrazole-4-carboxamide?
3-amino-N,N,5-trimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 168.20 g/mol, XLogP of 0.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N,5-trimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43159631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).