2-[4-[(1-cyclopropylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol

C12H21N3O — CID 64831182

IUPAC2-[4-[(1-cyclopropylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol
SMILESCC(CC1CC1)NCc1cnn(CCO)c1
InChIInChI=1S/C12H21N3O/c1-10(6-11-2-3-11)13-7-12-8-14-15(9-12)4-5-16/h8-11,13,16H,2-7H2,1H3
InChIKeySCMQNXKKJRNTRO-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.15
Rot. Bonds7

About 2-[4-[(1-cyclopropylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol

2-[4-[(1-cyclopropylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol (PubChem CID 64831182) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[4-[(1-cyclopropylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(1-cyclopropylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol
PubChem CID64831182
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[4-[(1-cyclopropylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol
SMILESCC(CC1CC1)NCc1cnn(CCO)c1
InChIInChI=1S/C12H21N3O/c1-10(6-11-2-3-11)13-7-12-8-14-15(9-12)4-5-16/h8-11,13,16H,2-7H2,1H3
InChIKeySCMQNXKKJRNTRO-UHFFFAOYSA-N
XLogP1.15
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(1-cyclopropylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol with MolForge

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Related Compounds

2-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 114130166
(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 79253702
1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-2-amine
CID 106936896
4-[3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butyl]phenol
CID 64829211
2-[4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]pyrazol-1-yl]ethanol
CID 64830214
2-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]pyrazol-1-yl]ethanol
CID 64830590
3-[(1-ethylpyrazol-4-yl)methylamino]butan-1-ol
CID 78998031
2-[4-[[1-(4-bromophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64830577
tert-butyl N-[2-cyclopropyl-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]carbamate
CID 107251850
2-[4-[[(1-methylcyclopentyl)amino]methyl]pyrazol-1-yl]ethanol
CID 64830027
2-[4-[[1-(2-chlorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64829552
2-[4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]pyrazol-1-yl]ethanol
CID 81363715

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-cyclopropylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(1-cyclopropylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol (CID 64831182) is 2-[4-[(1-cyclopropylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(1-cyclopropylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(1-cyclopropylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol is CC(CC1CC1)NCc1cnn(CCO)c1.
What is the InChIKey of 2-[4-[(1-cyclopropylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol?
The InChIKey is SCMQNXKKJRNTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(6-11-2-3-11)13-7-12-8-14-15(9-12)4-5-16/h8-11,13,16H,2-7H2,1H3.
What are the key properties of 2-[4-[(1-cyclopropylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol?
2-[4-[(1-cyclopropylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol has a molecular weight of 223.32 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-cyclopropylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64831182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).