(2S)-4-methoxy-4-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pentan-2-amine

C15H27N3O — CID 125445052

IUPAC(2S)-4-methoxy-4-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pentan-2-amine
SMILESCOC(C)(C)C[C@H](C)NCC1(Cn2cccn2)CC1
InChIInChI=1S/C15H27N3O/c1-13(10-14(2,3)19-4)16-11-15(6-7-15)12-18-9-5-8-17-18/h5,8-9,13,16H,6-7,10-12H2,1-4H3/t13-/m0/s1
InChIKeyTZUPKZJZUVDGGO-ZDUSSCGKSA-N
MW265.40 g/mol
LogP2.46
Rot. Bonds8

About (2S)-4-methoxy-4-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pentan-2-amine

(2S)-4-methoxy-4-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pentan-2-amine (PubChem CID 125445052) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is (2S)-4-methoxy-4-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pentan-2-amine.

Molecular Properties

Compound Name(2S)-4-methoxy-4-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pentan-2-amine
PubChem CID125445052
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name(2S)-4-methoxy-4-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pentan-2-amine
SMILESCOC(C)(C)C[C@H](C)NCC1(Cn2cccn2)CC1
InChIInChI=1S/C15H27N3O/c1-13(10-14(2,3)19-4)16-11-15(6-7-15)12-18-9-5-8-17-18/h5,8-9,13,16H,6-7,10-12H2,1-4H3/t13-/m0/s1
InChIKeyTZUPKZJZUVDGGO-ZDUSSCGKSA-N
XLogP2.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-4-methoxy-4-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-4-methoxy-4-methylpentan-2-yl]-1-propylpyrazol-4-amine
CID 97338511
N-(4-pyrazol-1-ylbutan-2-yl)oxan-4-amine
CID 110209293
3-(4-Pyrazol-1-ylbutan-2-ylamino)-1-(trifluoromethyl)cyclobutan-1-ol
CID 132393899
1-(1-Methoxy-4-methylpentan-3-yl)pyrazole
CID 58125074
(2R,3R)-3-methoxy-1-pyrazol-1-ylpentan-2-amine
CID 135132824
(2R,3S)-3-methoxy-1-pyrazol-1-ylpentan-2-amine
CID 135132889
1-Cyclopropylpyrazole;1-methoxypentane
CID 168887617
3-(Methoxymethyl)-4-pyrazol-1-ylpiperidine
CID 173101223
N-(4-Methoxy-4-methylpentan-2-yl)-1-methyl-1H-pyrazol-4-amine
CID 43534752
1-ethyl-N-(4-methoxy-4-methylpentan-2-yl)pyrazol-4-amine
CID 43543286
4-methoxy-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pentan-2-amine
CID 43749197
N-(1-pyrazol-1-ylpropan-2-yl)oxan-4-amine
CID 43749242

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methoxy-4-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pentan-2-amine?
The IUPAC name of (2S)-4-methoxy-4-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pentan-2-amine (CID 125445052) is (2S)-4-methoxy-4-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pentan-2-amine.
What is the SMILES notation for (2S)-4-methoxy-4-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pentan-2-amine?
The canonical SMILES for (2S)-4-methoxy-4-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pentan-2-amine is COC(C)(C)C[C@H](C)NCC1(Cn2cccn2)CC1.
What is the InChIKey of (2S)-4-methoxy-4-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pentan-2-amine?
The InChIKey is TZUPKZJZUVDGGO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H27N3O/c1-13(10-14(2,3)19-4)16-11-15(6-7-15)12-18-9-5-8-17-18/h5,8-9,13,16H,6-7,10-12H2,1-4H3/t13-/m0/s1.
What are the key properties of (2S)-4-methoxy-4-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pentan-2-amine?
(2S)-4-methoxy-4-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pentan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methoxy-4-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pentan-2-amine is sourced from PubChem (CID 125445052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).