4-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]butan-2-ol

C14H25N3O — CID 113259203

IUPAC4-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]butan-2-ol
SMILESCC(O)CCN(C)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C14H25N3O/c1-12(18)7-9-16(2)11-13-8-10-17(15-13)14-5-3-4-6-14/h8,10,12,14,18H,3-7,9,11H2,1-2H3
InChIKeyNMZRJIGCEUZNTH-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.20
Rot. Bonds6

About 4-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]butan-2-ol

4-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]butan-2-ol (PubChem CID 113259203) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]butan-2-ol.

Molecular Properties

Compound Name4-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]butan-2-ol
PubChem CID113259203
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]butan-2-ol
SMILESCC(O)CCN(C)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C14H25N3O/c1-12(18)7-9-16(2)11-13-8-10-17(15-13)14-5-3-4-6-14/h8,10,12,14,18H,3-7,9,11H2,1-2H3
InChIKeyNMZRJIGCEUZNTH-UHFFFAOYSA-N
XLogP2.20
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]propanoic acid
CID 64785385
5-bromo-N-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylpentan-1-amine
CID 107204922
N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 64784047
N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 64800221
1-(3-bromocyclobutyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-methylmethanamine
CID 80690073
1-(1-cyclopentylpyrazol-3-yl)-4-methylpentane-2,3-diol
CID 103456685
1-(1-cyclopentylpyrazol-3-yl)-4-(dimethylamino)butan-2-one
CID 113291145
1-(1-cyclohexylpyrazol-3-yl)-3-methylsulfonylpropan-2-ol
CID 112692637
4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one
CID 64784583
2-[(2-amino-2-oxoethyl)-[(1-cyclohexylpyrazol-3-yl)methyl]amino]acetic acid
CID 107440267
1-(1-cyclopentylpyrazol-3-yl)-3-hydroxyhexan-2-one
CID 103453825
4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346103

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]butan-2-ol?
The IUPAC name of 4-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]butan-2-ol (CID 113259203) is 4-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]butan-2-ol.
What is the SMILES notation for 4-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]butan-2-ol?
The canonical SMILES for 4-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]butan-2-ol is CC(O)CCN(C)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 4-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]butan-2-ol?
The InChIKey is NMZRJIGCEUZNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-12(18)7-9-16(2)11-13-8-10-17(15-13)14-5-3-4-6-14/h8,10,12,14,18H,3-7,9,11H2,1-2H3.
What are the key properties of 4-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]butan-2-ol?
4-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]butan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]butan-2-ol is sourced from PubChem (CID 113259203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).