[1-[(1-phenylpyrazol-3-yl)methylamino]cyclopropyl]methanol

C14H17N3O — CID 115897888

IUPAC[1-[(1-phenylpyrazol-3-yl)methylamino]cyclopropyl]methanol
SMILESOCC1(NCc2ccn(-c3ccccc3)n2)CC1
InChIInChI=1S/C14H17N3O/c18-11-14(7-8-14)15-10-12-6-9-17(16-12)13-4-2-1-3-5-13/h1-6,9,15,18H,7-8,10-11H2
InChIKeyBYXUDAFMNJLIHF-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.49
Rot. Bonds5

About [1-[(1-phenylpyrazol-3-yl)methylamino]cyclopropyl]methanol

[1-[(1-phenylpyrazol-3-yl)methylamino]cyclopropyl]methanol (PubChem CID 115897888) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is [1-[(1-phenylpyrazol-3-yl)methylamino]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(1-phenylpyrazol-3-yl)methylamino]cyclopropyl]methanol
PubChem CID115897888
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name[1-[(1-phenylpyrazol-3-yl)methylamino]cyclopropyl]methanol
SMILESOCC1(NCc2ccn(-c3ccccc3)n2)CC1
InChIInChI=1S/C14H17N3O/c18-11-14(7-8-14)15-10-12-6-9-17(16-12)13-4-2-1-3-5-13/h1-6,9,15,18H,7-8,10-11H2
InChIKeyBYXUDAFMNJLIHF-UHFFFAOYSA-N
XLogP1.49
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[(1-phenylpyrazol-3-yl)methyl]oxan-4-amine
CID 115897887
[1-[(1-methylpyrazol-3-yl)methylamino]cyclohexyl]methanol
CID 82866192
(2S)-2-[(1-phenylpyrazol-3-yl)methylamino]propanoic acid
CID 83194927
N-[(1-phenylpyrazol-3-yl)methyl]piperidin-1-amine
CID 83013966
2-methyl-3-[(1-phenylpyrazol-3-yl)methylamino]butan-1-ol
CID 115897847
2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]cyclopropan-1-amine
CID 62887093
2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]prop-2-en-1-amine
CID 114615905
4-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 106126263
[1-[(1-phenylpyrazol-4-yl)methylamino]cyclopentyl]methanol
CID 62523609
N-[(1-phenylpyrazol-3-yl)methyl]-7-oxaspiro[3.5]nonan-2-amine
CID 154865454
3-methyl-N-[(1-phenylpyrazol-3-yl)methyl]butan-1-amine
CID 62887084
2-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]propanoic acid
CID 65264157

Frequently Asked Questions

What is the IUPAC name of [1-[(1-phenylpyrazol-3-yl)methylamino]cyclopropyl]methanol?
The IUPAC name of [1-[(1-phenylpyrazol-3-yl)methylamino]cyclopropyl]methanol (CID 115897888) is [1-[(1-phenylpyrazol-3-yl)methylamino]cyclopropyl]methanol.
What is the SMILES notation for [1-[(1-phenylpyrazol-3-yl)methylamino]cyclopropyl]methanol?
The canonical SMILES for [1-[(1-phenylpyrazol-3-yl)methylamino]cyclopropyl]methanol is OCC1(NCc2ccn(-c3ccccc3)n2)CC1.
What is the InChIKey of [1-[(1-phenylpyrazol-3-yl)methylamino]cyclopropyl]methanol?
The InChIKey is BYXUDAFMNJLIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c18-11-14(7-8-14)15-10-12-6-9-17(16-12)13-4-2-1-3-5-13/h1-6,9,15,18H,7-8,10-11H2.
What are the key properties of [1-[(1-phenylpyrazol-3-yl)methylamino]cyclopropyl]methanol?
[1-[(1-phenylpyrazol-3-yl)methylamino]cyclopropyl]methanol has a molecular weight of 243.31 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-phenylpyrazol-3-yl)methylamino]cyclopropyl]methanol is sourced from PubChem (CID 115897888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).