N-(4-amino-1H-pyrazol-5-yl)formamide

C4H6N4O — CID 174711236

IUPACN-(4-amino-1H-pyrazol-5-yl)formamide
SMILESNc1cn[nH]c1NC=O
InChIInChI=1S/C4H6N4O/c5-3-1-7-8-4(3)6-2-9/h1-2H,5H2,(H2,6,7,8,9)
InChIKeyAVXPKVKGHJGIBW-UHFFFAOYSA-N
MW126.12 g/mol
LogP-0.44
Rot. Bonds2

About N-(4-amino-1H-pyrazol-5-yl)formamide

N-(4-amino-1H-pyrazol-5-yl)formamide (PubChem CID 174711236) has the molecular formula C4H6N4O and a molecular weight of 126.12 g/mol. Its IUPAC name is N-(4-amino-1H-pyrazol-5-yl)formamide.

Molecular Properties

Compound NameN-(4-amino-1H-pyrazol-5-yl)formamide
PubChem CID174711236
Molecular FormulaC4H6N4O
Molecular Weight126.12 g/mol
Exact Mass126.05
IUPAC NameN-(4-amino-1H-pyrazol-5-yl)formamide
SMILESNc1cn[nH]c1NC=O
InChIInChI=1S/C4H6N4O/c5-3-1-7-8-4(3)6-2-9/h1-2H,5H2,(H2,6,7,8,9)
InChIKeyAVXPKVKGHJGIBW-UHFFFAOYSA-N
XLogP-0.44
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1H-pyrazol-5-yl)formamide?
The IUPAC name of N-(4-amino-1H-pyrazol-5-yl)formamide (CID 174711236) is N-(4-amino-1H-pyrazol-5-yl)formamide.
What is the SMILES notation for N-(4-amino-1H-pyrazol-5-yl)formamide?
The canonical SMILES for N-(4-amino-1H-pyrazol-5-yl)formamide is Nc1cn[nH]c1NC=O.
What is the InChIKey of N-(4-amino-1H-pyrazol-5-yl)formamide?
The InChIKey is AVXPKVKGHJGIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O/c5-3-1-7-8-4(3)6-2-9/h1-2H,5H2,(H2,6,7,8,9).
What are the key properties of N-(4-amino-1H-pyrazol-5-yl)formamide?
N-(4-amino-1H-pyrazol-5-yl)formamide has a molecular weight of 126.12 g/mol, XLogP of -0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1H-pyrazol-5-yl)formamide is sourced from PubChem (CID 174711236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).