N-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]cyclopropanamine

C12H19N3 — CID 65460455

IUPACN-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESc1nn(CC2CCC2)cc1CNC1CC1
InChIInChI=1S/C12H19N3/c1-2-10(3-1)8-15-9-11(7-14-15)6-13-12-4-5-12/h7,9-10,12-13H,1-6,8H2
InChIKeyCNNAIUWSKKZSMB-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.94
Rot. Bonds5

About N-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]cyclopropanamine

N-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 65460455) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]cyclopropanamine
PubChem CID65460455
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC NameN-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESc1nn(CC2CCC2)cc1CNC1CC1
InChIInChI=1S/C12H19N3/c1-2-10(3-1)8-15-9-11(7-14-15)6-13-12-4-5-12/h7,9-10,12-13H,1-6,8H2
InChIKeyCNNAIUWSKKZSMB-UHFFFAOYSA-N
XLogP1.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine
CID 62126333
N-[(1-heptylpyrazol-4-yl)methyl]cyclopropanamine
CID 55110496
N-[[1-(3-methylbut-3-enyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 114477117
N-[(1-ethylpyrazol-4-yl)methyl]oxan-4-amine
CID 62125824
N-[[1-[(5-bromo-3-pyridinyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 113455948
N-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 82930291
1-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine
CID 113237556
N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 82871062
N-[(1-propylpyrazol-4-yl)methyl]oxan-4-amine
CID 115632215
4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxamide
CID 64829980
N-[(1-ethylpyrazol-4-yl)methyl]-1-propylpiperidin-4-amine
CID 62127257
5-[[1-(cyclobutylmethyl)pyrazol-4-yl]methylamino]-2-fluorobenzoic acid
CID 166257992

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]cyclopropanamine (CID 65460455) is N-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]cyclopropanamine is c1nn(CC2CCC2)cc1CNC1CC1.
What is the InChIKey of N-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is CNNAIUWSKKZSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-10(3-1)8-15-9-11(7-14-15)6-13-12-4-5-12/h7,9-10,12-13H,1-6,8H2.
What are the key properties of N-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]cyclopropanamine?
N-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 205.30 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65460455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).