1-(aminomethyl)-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutane-1-carboxamide

C12H20N4O — CID 106217378

IUPAC1-(aminomethyl)-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutane-1-carboxamide
SMILESCC1CC(CN)(C(=O)NC(C)c2cn[nH]c2)C1
InChIInChI=1S/C12H20N4O/c1-8-3-12(4-8,7-13)11(17)16-9(2)10-5-14-15-6-10/h5-6,8-9H,3-4,7,13H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyMOUZJIYMTODNOG-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.96
Rot. Bonds4

About 1-(aminomethyl)-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutane-1-carboxamide

1-(aminomethyl)-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutane-1-carboxamide (PubChem CID 106217378) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(aminomethyl)-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutane-1-carboxamide
PubChem CID106217378
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-(aminomethyl)-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutane-1-carboxamide
SMILESCC1CC(CN)(C(=O)NC(C)c2cn[nH]c2)C1
InChIInChI=1S/C12H20N4O/c1-8-3-12(4-8,7-13)11(17)16-9(2)10-5-14-15-6-10/h5-6,8-9H,3-4,7,13H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyMOUZJIYMTODNOG-UHFFFAOYSA-N
XLogP0.96
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-3-methyl-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide
CID 80588316
1-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentane-1-carboxamide
CID 103856241
1-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentane-1-carboxamide
CID 106212912
1-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide
CID 80587906
1-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide
CID 114158937
3-amino-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212688
5-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 106212776
1-(N'-hydroxycarbamimidoyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
CID 114159621
5-amino-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 106212676
3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide
CID 103856925
2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 106212884
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutane-1-carboxamide (CID 106217378) is 1-(aminomethyl)-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutane-1-carboxamide is CC1CC(CN)(C(=O)NC(C)c2cn[nH]c2)C1.
What is the InChIKey of 1-(aminomethyl)-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is MOUZJIYMTODNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-3-12(4-8,7-13)11(17)16-9(2)10-5-14-15-6-10/h5-6,8-9H,3-4,7,13H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 1-(aminomethyl)-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutane-1-carboxamide?
1-(aminomethyl)-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 106217378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).