2-(cyclopropylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol

C10H17N3O — CID 61055041

IUPAC2-(cyclopropylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(C(CO)NCC2CC2)cn1
InChIInChI=1S/C10H17N3O/c1-13-6-9(5-12-13)10(7-14)11-4-8-2-3-8/h5-6,8,10-11,14H,2-4,7H2,1H3
InChIKeyVROAQUCMHDDULH-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.45
Rot. Bonds5

About 2-(cyclopropylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol

2-(cyclopropylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol (PubChem CID 61055041) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol
PubChem CID61055041
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-(cyclopropylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(C(CO)NCC2CC2)cn1
InChIInChI=1S/C10H17N3O/c1-13-6-9(5-12-13)10(7-14)11-4-8-2-3-8/h5-6,8,10-11,14H,2-4,7H2,1H3
InChIKeyVROAQUCMHDDULH-UHFFFAOYSA-N
XLogP0.45
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylbutylamino)-2-(1-methylpyrazol-4-yl)ethanol
CID 115888089
4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid
CID 79532822
2-(cyclopropylmethylamino)-2-(4-methylphenyl)ethanol
CID 61056447
(2R)-2-(cyclopropylmethylamino)-2-phenylethanol
CID 93471769
2-[(3-methylcyclopentyl)amino]-2-(1-methylpyrazol-4-yl)ethanol
CID 115896727
4-[1-(cyclopropylmethylamino)-2-hydroxyethyl]-2,6-dimethylphenol
CID 61055235
(1R)-N,N-dimethyl-N'-[(4-methylcyclohexyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 97329473
2-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
CID 64927227
2-(4-methoxybutan-2-ylamino)-2-(1-methylpyrazol-4-yl)ethanol
CID 115896723
2-(cyclopropylmethylamino)-2-(3,4,5-trimethoxyphenyl)ethanol
CID 61054231
2-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43485883
(2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol
CID 93471722

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(cyclopropylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol (CID 61055041) is 2-(cyclopropylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(cyclopropylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(cyclopropylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol is Cn1cc(C(CO)NCC2CC2)cn1.
What is the InChIKey of 2-(cyclopropylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is VROAQUCMHDDULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13-6-9(5-12-13)10(7-14)11-4-8-2-3-8/h5-6,8,10-11,14H,2-4,7H2,1H3.
What are the key properties of 2-(cyclopropylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol?
2-(cyclopropylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 195.27 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 61055041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).