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

C11H18N4O — CID 80599035

IUPAC1-(aminomethyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide
SMILESCN(Cc1cn[nH]c1)C(=O)C1(CN)CCC1
InChIInChI=1S/C11H18N4O/c1-15(7-9-5-13-14-6-9)10(16)11(8-12)3-2-4-11/h5-6H,2-4,7-8,12H2,1H3,(H,13,14)
InChIKeyCWRPMJZUHCUZHL-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.50
Rot. Bonds4

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

1-(aminomethyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide (PubChem CID 80599035) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide
PubChem CID80599035
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-(aminomethyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide
SMILESCN(Cc1cn[nH]c1)C(=O)C1(CN)CCC1
InChIInChI=1S/C11H18N4O/c1-15(7-9-5-13-14-6-9)10(16)11(8-12)3-2-4-11/h5-6H,2-4,7-8,12H2,1H3,(H,13,14)
InChIKeyCWRPMJZUHCUZHL-UHFFFAOYSA-N
XLogP0.50
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115447419
3-amino-N-methyl-N-(1H-pyrazol-4-ylmethyl)oxolane-3-carboxamide
CID 64893014
1-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide
CID 80588239
1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 80588544
1-(aminomethyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 115448413
1-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylcyclobutane-1-carboxamide
CID 115447918
1-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 80587212
N-methyl-3-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-carboxamide
CID 106980739
1-(aminomethyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115448155
N-methyl-N-(1H-pyrazol-4-ylmethyl)azepane-1-carboxamide
CID 79152116
2-(dimethylamino)-N-methyl-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 102737443
1-(aminomethyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119704995

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide (CID 80599035) is 1-(aminomethyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide is CN(Cc1cn[nH]c1)C(=O)C1(CN)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide?
The InChIKey is CWRPMJZUHCUZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-15(7-9-5-13-14-6-9)10(16)11(8-12)3-2-4-11/h5-6H,2-4,7-8,12H2,1H3,(H,13,14).
What are the key properties of 1-(aminomethyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80599035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).