3-(methylamino)-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide

C9H14N4O — CID 164651415

IUPAC3-(methylamino)-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide
SMILESCNC1CC(C(=O)Nc2cn[nH]c2)C1
InChIInChI=1S/C9H14N4O/c1-10-7-2-6(3-7)9(14)13-8-4-11-12-5-8/h4-7,10H,2-3H2,1H3,(H,11,12)(H,13,14)
InChIKeyAMULBYIVVQMAMV-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.35
Rot. Bonds3

About 3-(methylamino)-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide

3-(methylamino)-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide (PubChem CID 164651415) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-(methylamino)-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-(methylamino)-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide
PubChem CID164651415
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3-(methylamino)-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide
SMILESCNC1CC(C(=O)Nc2cn[nH]c2)C1
InChIInChI=1S/C9H14N4O/c1-10-7-2-6(3-7)9(14)13-8-4-11-12-5-8/h4-7,10H,2-3H2,1H3,(H,11,12)(H,13,14)
InChIKeyAMULBYIVVQMAMV-UHFFFAOYSA-N
XLogP0.35
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide?
The IUPAC name of 3-(methylamino)-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide (CID 164651415) is 3-(methylamino)-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-(methylamino)-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 3-(methylamino)-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide is CNC1CC(C(=O)Nc2cn[nH]c2)C1.
What is the InChIKey of 3-(methylamino)-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide?
The InChIKey is AMULBYIVVQMAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-10-7-2-6(3-7)9(14)13-8-4-11-12-5-8/h4-7,10H,2-3H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 3-(methylamino)-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide?
3-(methylamino)-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide has a molecular weight of 194.24 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 164651415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).