2-methyl-4-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)butan-1-ol

C12H23N3O — CID 64811325

IUPAC2-methyl-4-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)butan-1-ol
SMILESCc1cnn(CCC(C)(CO)NC(C)C)c1
InChIInChI=1S/C12H23N3O/c1-10(2)14-12(4,9-16)5-6-15-8-11(3)7-13-15/h7-8,10,14,16H,5-6,9H2,1-4H3
InChIKeyFUDRCFMARCYXQN-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.33
Rot. Bonds6

About 2-methyl-4-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)butan-1-ol

2-methyl-4-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)butan-1-ol (PubChem CID 64811325) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-methyl-4-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name2-methyl-4-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)butan-1-ol
PubChem CID64811325
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-methyl-4-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)butan-1-ol
SMILESCc1cnn(CCC(C)(CO)NC(C)C)c1
InChIInChI=1S/C12H23N3O/c1-10(2)14-12(4,9-16)5-6-15-8-11(3)7-13-15/h7-8,10,14,16H,5-6,9H2,1-4H3
InChIKeyFUDRCFMARCYXQN-UHFFFAOYSA-N
XLogP1.33
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(methylamino)-5-(4-methylpyrazol-1-yl)pentan-1-ol
CID 64808818
4-(4-methylpyrazol-1-yl)-2-phenyl-2-(propan-2-ylamino)butanenitrile
CID 116692718
2,2-dimethyl-4-(4-methylpyrazol-1-yl)butan-1-amine
CID 65246794
2,2-dimethyl-4-(4-methylpyrazol-1-yl)butanenitrile
CID 65256648
5-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64810890
2-amino-4-(4-methylpyrazol-1-yl)-2-phenylbutan-1-ol
CID 116695357
(4-methylpyrazol-1-yl)methanol
CID 7172181
2-amino-2-methyl-3-(4-methylpyrazol-1-yl)propan-1-ol
CID 64809447
N-tert-butyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]propanamide
CID 113232712
1-[3-(4-methylpyrazol-1-yl)propyl]-3-propan-2-ylthiourea
CID 19573005
3-(4-chloro-5-methylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64810937
4-[2-(4-methylpyrazol-1-yl)ethylamino]pentan-1-ol
CID 115972661

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 2-methyl-4-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)butan-1-ol (CID 64811325) is 2-methyl-4-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 2-methyl-4-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 2-methyl-4-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)butan-1-ol is Cc1cnn(CCC(C)(CO)NC(C)C)c1.
What is the InChIKey of 2-methyl-4-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is FUDRCFMARCYXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10(2)14-12(4,9-16)5-6-15-8-11(3)7-13-15/h7-8,10,14,16H,5-6,9H2,1-4H3.
What are the key properties of 2-methyl-4-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)butan-1-ol?
2-methyl-4-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 225.34 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 64811325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).