N-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]cyclopropanamine

C17H21N3 — CID 66442704

IUPACN-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]cyclopropanamine
SMILESc1ccc(Cn2ncc(CNC3CC3)c2C2CC2)cc1
InChIInChI=1S/C17H21N3/c1-2-4-13(5-3-1)12-20-17(14-6-7-14)15(11-19-20)10-18-16-8-9-16/h1-5,11,14,16,18H,6-10,12H2
InChIKeyQWUHXOUHUQAWIQ-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.06
Rot. Bonds6

About N-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]cyclopropanamine

N-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]cyclopropanamine (PubChem CID 66442704) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]cyclopropanamine
PubChem CID66442704
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC NameN-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]cyclopropanamine
SMILESc1ccc(Cn2ncc(CNC3CC3)c2C2CC2)cc1
InChIInChI=1S/C17H21N3/c1-2-4-13(5-3-1)12-20-17(14-6-7-14)15(11-19-20)10-18-16-8-9-16/h1-5,11,14,16,18H,6-10,12H2
InChIKeyQWUHXOUHUQAWIQ-UHFFFAOYSA-N
XLogP3.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 66441513
N-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
CID 66440894
(1-benzyl-5-cyclopropylpyrazol-4-yl)methanol
CID 66438332
4-(bromomethyl)-5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole
CID 66438813
[1-[(2-chlorophenyl)methyl]-5-cyclopropylpyrazol-4-yl]methanol
CID 66437255
N-[[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine
CID 66439775
N-[[1-[(3-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 103041561
N-[(5-cyclopropyl-1-ethylpyrazol-4-yl)methyl]ethanamine
CID 66440322
N-[(1-benzyltriazol-4-yl)methyl]cyclopropanamine
CID 66193410
N-[[5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]cyclopropanamine
CID 81452642
N-[[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopentanamine
CID 82527795
N-[(3-methyl-4-pyridinyl)methyl]-4-phenylcyclohexan-1-amine
CID 114698974

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]cyclopropanamine (CID 66442704) is N-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]cyclopropanamine is c1ccc(Cn2ncc(CNC3CC3)c2C2CC2)cc1.
What is the InChIKey of N-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]cyclopropanamine?
The InChIKey is QWUHXOUHUQAWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-2-4-13(5-3-1)12-20-17(14-6-7-14)15(11-19-20)10-18-16-8-9-16/h1-5,11,14,16,18H,6-10,12H2.
What are the key properties of N-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]cyclopropanamine?
N-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]cyclopropanamine has a molecular weight of 267.38 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 66442704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).