1-methyl-N-[(3R,5R)-5-methylheptan-3-yl]pyrazol-3-amine

C12H23N3 — CID 93314025

IUPAC1-methyl-N-[(3R,5R)-5-methylheptan-3-yl]pyrazol-3-amine
SMILESCC[C@@H](C)C[C@@H](CC)Nc1ccn(C)n1
InChIInChI=1S/C12H23N3/c1-5-10(3)9-11(6-2)13-12-7-8-15(4)14-12/h7-8,10-11H,5-6,9H2,1-4H3,(H,13,14)/t10-,11-/m1/s1
InChIKeyDZUHVTWSYIUMNQ-GHMZBOCLSA-N
MW209.34 g/mol
LogP3.05
Rot. Bonds6

About 1-methyl-N-[(3R,5R)-5-methylheptan-3-yl]pyrazol-3-amine

1-methyl-N-[(3R,5R)-5-methylheptan-3-yl]pyrazol-3-amine (PubChem CID 93314025) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-methyl-N-[(3R,5R)-5-methylheptan-3-yl]pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-[(3R,5R)-5-methylheptan-3-yl]pyrazol-3-amine
PubChem CID93314025
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-methyl-N-[(3R,5R)-5-methylheptan-3-yl]pyrazol-3-amine
SMILESCC[C@@H](C)C[C@@H](CC)Nc1ccn(C)n1
InChIInChI=1S/C12H23N3/c1-5-10(3)9-11(6-2)13-12-7-8-15(4)14-12/h7-8,10-11H,5-6,9H2,1-4H3,(H,13,14)/t10-,11-/m1/s1
InChIKeyDZUHVTWSYIUMNQ-GHMZBOCLSA-N
XLogP3.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 112723457
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methyl 2-methyl-4-[(1-methylpyrazol-3-yl)amino]pentanoate
CID 104646481
N-[(2R)-hex-5-en-2-yl]-1-methylpyrazol-3-amine
CID 97358836
methyl 2-[(1-methylpyrazol-3-yl)amino]propanoate
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(2R)-1-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 106932300
N-butan-2-yl-2-[(1-methylpyrazol-3-yl)amino]acetamide
CID 79779691
2-ethyl-N'-(1-methylpyrazol-3-yl)propane-1,3-diamine
CID 103568549
N-[(1S)-1-(2,6-difluorophenyl)ethyl]-1-methylpyrazol-3-amine
CID 93329707
N-pentan-3-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
CID 115929500
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazol-3-amine
CID 65197071
N-(5-methylheptan-3-yl)-4-phenylaniline
CID 43716868

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3R,5R)-5-methylheptan-3-yl]pyrazol-3-amine?
The IUPAC name of 1-methyl-N-[(3R,5R)-5-methylheptan-3-yl]pyrazol-3-amine (CID 93314025) is 1-methyl-N-[(3R,5R)-5-methylheptan-3-yl]pyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-[(3R,5R)-5-methylheptan-3-yl]pyrazol-3-amine?
The canonical SMILES for 1-methyl-N-[(3R,5R)-5-methylheptan-3-yl]pyrazol-3-amine is CC[C@@H](C)C[C@@H](CC)Nc1ccn(C)n1.
What is the InChIKey of 1-methyl-N-[(3R,5R)-5-methylheptan-3-yl]pyrazol-3-amine?
The InChIKey is DZUHVTWSYIUMNQ-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-10(3)9-11(6-2)13-12-7-8-15(4)14-12/h7-8,10-11H,5-6,9H2,1-4H3,(H,13,14)/t10-,11-/m1/s1.
What are the key properties of 1-methyl-N-[(3R,5R)-5-methylheptan-3-yl]pyrazol-3-amine?
1-methyl-N-[(3R,5R)-5-methylheptan-3-yl]pyrazol-3-amine has a molecular weight of 209.34 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3R,5R)-5-methylheptan-3-yl]pyrazol-3-amine is sourced from PubChem (CID 93314025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).