1-N-benzyl-3-N-(cyclopropylmethyl)pyrazole-1,3-diamine

C14H18N4 — CID 150336703

IUPAC1-N-benzyl-3-N-(cyclopropylmethyl)pyrazole-1,3-diamine
SMILESc1ccc(CNn2ccc(NCC3CC3)n2)cc1
InChIInChI=1S/C14H18N4/c1-2-4-12(5-3-1)11-16-18-9-8-14(17-18)15-10-13-6-7-13/h1-5,8-9,13,16H,6-7,10-11H2,(H,15,17)
InChIKeyGQVCLYVBRPMGDF-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.45
Rot. Bonds6

About 1-N-benzyl-3-N-(cyclopropylmethyl)pyrazole-1,3-diamine

1-N-benzyl-3-N-(cyclopropylmethyl)pyrazole-1,3-diamine (PubChem CID 150336703) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-N-benzyl-3-N-(cyclopropylmethyl)pyrazole-1,3-diamine.

Molecular Properties

Compound Name1-N-benzyl-3-N-(cyclopropylmethyl)pyrazole-1,3-diamine
PubChem CID150336703
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-N-benzyl-3-N-(cyclopropylmethyl)pyrazole-1,3-diamine
SMILESc1ccc(CNn2ccc(NCC3CC3)n2)cc1
InChIInChI=1S/C14H18N4/c1-2-4-12(5-3-1)11-16-18-9-8-14(17-18)15-10-13-6-7-13/h1-5,8-9,13,16H,6-7,10-11H2,(H,15,17)
InChIKeyGQVCLYVBRPMGDF-UHFFFAOYSA-N
XLogP2.45
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-benzylsulfanyl-N-(cyclopropylmethyl)pyrazin-2-amine
CID 133389133
N-(cyclopentylmethyl)-1-methylpyrazol-3-amine
CID 62072265
benzaldehyde;N-benzyl-1-cyclopropylmethanamine
CID 158539783
N-[[4-(benzylamino)cyclohexyl]methyl]-4-chloro-5-methylpyridin-2-amine
CID 91246929
N-[(4-aminocyclohexyl)methyl]acridin-9-amine
CID 59230418
N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropylmethanamine
CID 24715628
N-benzyl-1-cyclobutylmethanamine;methanol
CID 170726729
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871
N-(cyclopropylmethyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 72545501
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 95243924
N-(cyclopropylmethyl)-6-propan-2-ylpyridin-2-amine
CID 153463785
7-chloro-N-[[4-[3-(cyclopropylmethylamino)pyrazol-1-yl]phenyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine
CID 59828818

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-3-N-(cyclopropylmethyl)pyrazole-1,3-diamine?
The IUPAC name of 1-N-benzyl-3-N-(cyclopropylmethyl)pyrazole-1,3-diamine (CID 150336703) is 1-N-benzyl-3-N-(cyclopropylmethyl)pyrazole-1,3-diamine.
What is the SMILES notation for 1-N-benzyl-3-N-(cyclopropylmethyl)pyrazole-1,3-diamine?
The canonical SMILES for 1-N-benzyl-3-N-(cyclopropylmethyl)pyrazole-1,3-diamine is c1ccc(CNn2ccc(NCC3CC3)n2)cc1.
What is the InChIKey of 1-N-benzyl-3-N-(cyclopropylmethyl)pyrazole-1,3-diamine?
The InChIKey is GQVCLYVBRPMGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-2-4-12(5-3-1)11-16-18-9-8-14(17-18)15-10-13-6-7-13/h1-5,8-9,13,16H,6-7,10-11H2,(H,15,17).
What are the key properties of 1-N-benzyl-3-N-(cyclopropylmethyl)pyrazole-1,3-diamine?
1-N-benzyl-3-N-(cyclopropylmethyl)pyrazole-1,3-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-3-N-(cyclopropylmethyl)pyrazole-1,3-diamine is sourced from PubChem (CID 150336703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).