4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-2-amine

C11H21N3 — CID 43663741

IUPAC4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-2-amine
SMILESCc1[nH]ncc1CNC(C)CC(C)C
InChIInChI=1S/C11H21N3/c1-8(2)5-9(3)12-6-11-7-13-14-10(11)4/h7-9,12H,5-6H2,1-4H3,(H,13,14)
InChIKeyIKJMJWQFWNQDFI-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.24
Rot. Bonds5

About 4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-2-amine

4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-2-amine (PubChem CID 43663741) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-2-amine
PubChem CID43663741
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-2-amine
SMILESCc1[nH]ncc1CNC(C)CC(C)C
InChIInChI=1S/C11H21N3/c1-8(2)5-9(3)12-6-11-7-13-14-10(11)4/h7-9,12H,5-6H2,1-4H3,(H,13,14)
InChIKeyIKJMJWQFWNQDFI-UHFFFAOYSA-N
XLogP2.24
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-1-ol
CID 93257822
1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 61067726
6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hept-5-en-2-amine
CID 115891754
1-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 54893050
(2S)-1-(furan-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 93264764
1-imidazol-1-yl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 43749812
4-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentanoic acid
CID 122127632
3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hex-5-en-2-amine
CID 115891758
1-(4-chlorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43663590
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115891764
1-(4-chlorophenyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43687623
3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 60767372

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-2-amine?
The IUPAC name of 4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-2-amine (CID 43663741) is 4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-2-amine.
What is the SMILES notation for 4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-2-amine?
The canonical SMILES for 4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-2-amine is Cc1[nH]ncc1CNC(C)CC(C)C.
What is the InChIKey of 4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-2-amine?
The InChIKey is IKJMJWQFWNQDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-8(2)5-9(3)12-6-11-7-13-14-10(11)4/h7-9,12H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-2-amine?
4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-2-amine has a molecular weight of 195.31 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-2-amine is sourced from PubChem (CID 43663741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).