N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]cyclopropanamine

C13H14ClN3 — CID 61270362

IUPACN-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESClc1cccc(-n2cc(CNC3CC3)cn2)c1
InChIInChI=1S/C13H14ClN3/c14-11-2-1-3-13(6-11)17-9-10(8-16-17)7-15-12-4-5-12/h1-3,6,8-9,12,15H,4-5,7H2
InChIKeyGNAPJUOOVIFRGA-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.78
Rot. Bonds4

About N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]cyclopropanamine

N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 61270362) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]cyclopropanamine
PubChem CID61270362
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC NameN-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESClc1cccc(-n2cc(CNC3CC3)cn2)c1
InChIInChI=1S/C13H14ClN3/c14-11-2-1-3-13(6-11)17-9-10(8-16-17)7-15-12-4-5-12/h1-3,6,8-9,12,15H,4-5,7H2
InChIKeyGNAPJUOOVIFRGA-UHFFFAOYSA-N
XLogP2.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5S,9R)-5-[[1-(3-chlorophenyl)pyrazol-4-yl]methylamino]-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
CID 126462597
(3R,7S,8aS)-3-benzyl-7-[[1-(3-chlorophenyl)pyrazol-4-yl]methylamino]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 126461496
(3S,7S,8aS)-3-[(4-chlorophenyl)methyl]-7-[[1-(3-chlorophenyl)pyrazol-4-yl]methylamino]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 56859104
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 61270957
(2R)-1-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]azetidine-2-carboxylic acid
CID 124851906
N-[[4-(4-chloropyrazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 55038787
1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide
CID 110899894
3-(cyclopropylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 61259059
N-[3-[4-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]piperidin-1-yl]phenyl]ethanesulfonamide
CID 42165458
N-[[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine
CID 82528297
4-[(1-phenylpyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 106183796
1-(3-chlorophenyl)-4-iodopyrazole
CID 171439876

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]cyclopropanamine (CID 61270362) is N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]cyclopropanamine is Clc1cccc(-n2cc(CNC3CC3)cn2)c1.
What is the InChIKey of N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is GNAPJUOOVIFRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c14-11-2-1-3-13(6-11)17-9-10(8-16-17)7-15-12-4-5-12/h1-3,6,8-9,12,15H,4-5,7H2.
What are the key properties of N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]cyclopropanamine?
N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 247.73 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 61270362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).