N-ethyl-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine

C15H29N3 — CID 64771858

IUPACN-ethyl-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine
SMILESCCNC(C)C(Cc1ccn(C(C)C)n1)C(C)C
InChIInChI=1S/C15H29N3/c1-7-16-13(6)15(11(2)3)10-14-8-9-18(17-14)12(4)5/h8-9,11-13,15-16H,7,10H2,1-6H3
InChIKeyMPGMECFTGPRXLZ-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.28
Rot. Bonds7

About N-ethyl-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine

N-ethyl-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine (PubChem CID 64771858) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-ethyl-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine
PubChem CID64771858
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-ethyl-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine
SMILESCCNC(C)C(Cc1ccn(C(C)C)n1)C(C)C
InChIInChI=1S/C15H29N3/c1-7-16-13(6)15(11(2)3)10-14-8-9-18(17-14)12(4)5/h8-9,11-13,15-16H,7,10H2,1-6H3
InChIKeyMPGMECFTGPRXLZ-UHFFFAOYSA-N
XLogP3.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,4-dimethylpentan-2-amine
CID 64786150
N-ethyl-4-methylsulfanyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 105154886
3-ethoxy-N-ethyl-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 116721524
1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64771198
N-ethyl-5,5,5-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 79953927
3-ethoxy-N-ethyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 116716994
1-(2,6-dimethyl-4-pyridinyl)-N-ethyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 107503911
N-ethyl-3-methoxy-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 116758057
N-ethyl-2-methyl-1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79108130
N-ethyl-1-(1-methylimidazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 107975696
N-ethyl-1-(2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104990155
N-ethyl-1-(3-methylimidazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 82902628

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine?
The IUPAC name of N-ethyl-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine (CID 64771858) is N-ethyl-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine?
The canonical SMILES for N-ethyl-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine is CCNC(C)C(Cc1ccn(C(C)C)n1)C(C)C.
What is the InChIKey of N-ethyl-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine?
The InChIKey is MPGMECFTGPRXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-7-16-13(6)15(11(2)3)10-14-8-9-18(17-14)12(4)5/h8-9,11-13,15-16H,7,10H2,1-6H3.
What are the key properties of N-ethyl-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine?
N-ethyl-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine has a molecular weight of 251.42 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine is sourced from PubChem (CID 64771858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).