N-[[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine

C15H20N4 — CID 43648091

IUPACN-[[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1nn(Cc2cccnc2)c(C)c1CNC1CC1
InChIInChI=1S/C15H20N4/c1-11-15(9-17-14-5-6-14)12(2)19(18-11)10-13-4-3-7-16-8-13/h3-4,7-8,14,17H,5-6,9-10H2,1-2H3
InChIKeyAHXSOARATGTQFM-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.20
Rot. Bonds5

About N-[[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine

N-[[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 43648091) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine
PubChem CID43648091
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-[[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1nn(Cc2cccnc2)c(C)c1CNC1CC1
InChIInChI=1S/C15H20N4/c1-11-15(9-17-14-5-6-14)12(2)19(18-11)10-13-4-3-7-16-8-13/h3-4,7-8,14,17H,5-6,9-10H2,1-2H3
InChIKeyAHXSOARATGTQFM-UHFFFAOYSA-N
XLogP2.20
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 43648088
N-[[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 43648043
N-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 43410533
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
N-[[3,5-dimethyl-1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 43648111
N-[[3,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 43648107
N-[[1-[(4-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 114851495
N-[[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62447884
N-[[1-(3-imidazol-1-ylpropyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 61493166
4-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-2-methylbutan-2-ol
CID 79355509
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30885844
N-[(1-heptyl-3,5-dimethylpyrazol-4-yl)methyl]cyclopropanamine
CID 43648067

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine (CID 43648091) is N-[[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine is Cc1nn(Cc2cccnc2)c(C)c1CNC1CC1.
What is the InChIKey of N-[[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is AHXSOARATGTQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11-15(9-17-14-5-6-14)12(2)19(18-11)10-13-4-3-7-16-8-13/h3-4,7-8,14,17H,5-6,9-10H2,1-2H3.
What are the key properties of N-[[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine?
N-[[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 256.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 43648091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).