2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol

C14H25N3O — CID 111977174

IUPAC2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol
SMILESCC(CO)(NCc1cnn(C(C)(C)C)c1)C1CC1
InChIInChI=1S/C14H25N3O/c1-13(2,3)17-9-11(8-16-17)7-15-14(4,10-18)12-5-6-12/h8-9,12,15,18H,5-7,10H2,1-4H3
InChIKeyNILNVZDRFSPQMR-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.89
Rot. Bonds5

About 2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol

2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol (PubChem CID 111977174) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol.

Molecular Properties

Compound Name2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol
PubChem CID111977174
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol
SMILESCC(CO)(NCc1cnn(C(C)(C)C)c1)C1CC1
InChIInChI=1S/C14H25N3O/c1-13(2,3)17-9-11(8-16-17)7-15-14(4,10-18)12-5-6-12/h8-9,12,15,18H,5-7,10H2,1-4H3
InChIKeyNILNVZDRFSPQMR-UHFFFAOYSA-N
XLogP1.89
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-1-ol
CID 111977150
N-[(1-tert-butylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
CID 115696513
2-cyclopropyl-2-(furan-3-ylmethylamino)propan-1-ol
CID 115685163
3-[(1-tert-butylpyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 43792359
methyl 2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropanoate
CID 43787222
N-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64722566
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-ethylsulfonylpiperidin-4-amine
CID 86808103
N-[(1-tert-butylpyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43783460
6-[(1-tert-butylpyrazol-4-yl)methylamino]hexan-1-ol
CID 103924056
tert-butyl N-[(2S)-2-cyclopropyl-2-[(1-methylpyrazol-4-yl)methylamino]propyl]carbamate
CID 124509244
(2R)-2-cyclohexyl-2-[(3,5-dimethylphenyl)methylamino]propan-1-ol
CID 99809997
N-(1-amino-2-cyclopropylpropan-2-yl)-1-tert-butylpyrazole-4-carboxamide
CID 119572438

Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol?
The IUPAC name of 2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol (CID 111977174) is 2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol.
What is the SMILES notation for 2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol?
The canonical SMILES for 2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol is CC(CO)(NCc1cnn(C(C)(C)C)c1)C1CC1.
What is the InChIKey of 2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol?
The InChIKey is NILNVZDRFSPQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-13(2,3)17-9-11(8-16-17)7-15-14(4,10-18)12-5-6-12/h8-9,12,15,18H,5-7,10H2,1-4H3.
What are the key properties of 2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol?
2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol is sourced from PubChem (CID 111977174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).