1-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide

C10H16N4O — CID 80588239

IUPAC1-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)NCc2cn[nH]c2)CCC1
InChIInChI=1S/C10H16N4O/c11-7-10(2-1-3-10)9(15)12-4-8-5-13-14-6-8/h5-6H,1-4,7,11H2,(H,12,15)(H,13,14)
InChIKeyBUEZURDMGLMGMH-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.15
Rot. Bonds4

About 1-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide

1-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide (PubChem CID 80588239) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide
PubChem CID80588239
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)NCc2cn[nH]c2)CCC1
InChIInChI=1S/C10H16N4O/c11-7-10(2-1-3-10)9(15)12-4-8-5-13-14-6-8/h5-6H,1-4,7,11H2,(H,12,15)(H,13,14)
InChIKeyBUEZURDMGLMGMH-UHFFFAOYSA-N
XLogP0.15
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide (CID 80588239) is 1-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide is NCC1(C(=O)NCc2cn[nH]c2)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide?
The InChIKey is BUEZURDMGLMGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c11-7-10(2-1-3-10)9(15)12-4-8-5-13-14-6-8/h5-6H,1-4,7,11H2,(H,12,15)(H,13,14).
What are the key properties of 1-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80588239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).