N-[[2-(1-phenylpyrazol-4-yl)cyclopropyl]methyl]propan-2-amine

C16H21N3 — CID 62708561

IUPACN-[[2-(1-phenylpyrazol-4-yl)cyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1CC1c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H21N3/c1-12(2)17-9-13-8-16(13)14-10-18-19(11-14)15-6-4-3-5-7-15/h3-7,10-13,16-17H,8-9H2,1-2H3
InChIKeyWCKVWYATJKUMND-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.97
Rot. Bonds5

About N-[[2-(1-phenylpyrazol-4-yl)cyclopropyl]methyl]propan-2-amine

N-[[2-(1-phenylpyrazol-4-yl)cyclopropyl]methyl]propan-2-amine (PubChem CID 62708561) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[[2-(1-phenylpyrazol-4-yl)cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-phenylpyrazol-4-yl)cyclopropyl]methyl]propan-2-amine
PubChem CID62708561
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-[[2-(1-phenylpyrazol-4-yl)cyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1CC1c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H21N3/c1-12(2)17-9-13-8-16(13)14-10-18-19(11-14)15-6-4-3-5-7-15/h3-7,10-13,16-17H,8-9H2,1-2H3
InChIKeyWCKVWYATJKUMND-UHFFFAOYSA-N
XLogP2.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(bromomethyl)cyclopropyl]-1-phenylpyrazole
CID 81350650
trans-(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropan-1-amine;dihydrochloride
CID 170910890
N-[[2-(furan-3-yl)cyclopropyl]methyl]propan-2-amine
CID 63208003
N-[(2-naphthalen-2-ylcyclopropyl)methyl]propan-2-amine
CID 62708560
(1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 81385943
N-[[2-(1-methylpyrazol-4-yl)cyclopentyl]methyl]propan-2-amine
CID 81034337
N-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]propan-2-amine
CID 62708916
N-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 60718562
1-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine
CID 122095776
(2S)-2-[(2-phenylcyclopropyl)methylamino]propan-1-ol
CID 103880708
(2R)-2-[(2-phenylcyclopropyl)methylamino]propan-1-ol
CID 103880516
N-[[2-(3-phenyltriazol-4-yl)cyclobutyl]methyl]propan-2-amine
CID 114691489

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-phenylpyrazol-4-yl)cyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(1-phenylpyrazol-4-yl)cyclopropyl]methyl]propan-2-amine (CID 62708561) is N-[[2-(1-phenylpyrazol-4-yl)cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(1-phenylpyrazol-4-yl)cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(1-phenylpyrazol-4-yl)cyclopropyl]methyl]propan-2-amine is CC(C)NCC1CC1c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[[2-(1-phenylpyrazol-4-yl)cyclopropyl]methyl]propan-2-amine?
The InChIKey is WCKVWYATJKUMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12(2)17-9-13-8-16(13)14-10-18-19(11-14)15-6-4-3-5-7-15/h3-7,10-13,16-17H,8-9H2,1-2H3.
What are the key properties of N-[[2-(1-phenylpyrazol-4-yl)cyclopropyl]methyl]propan-2-amine?
N-[[2-(1-phenylpyrazol-4-yl)cyclopropyl]methyl]propan-2-amine has a molecular weight of 255.37 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-phenylpyrazol-4-yl)cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 62708561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).