N,N,4-trimethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanamide

C13H24N4O — CID 43675104

IUPACN,N,4-trimethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanamide
SMILESCc1[nH]ncc1CNC(CC(C)C)C(=O)N(C)C
InChIInChI=1S/C13H24N4O/c1-9(2)6-12(13(18)17(4)5)14-7-11-8-15-16-10(11)3/h8-9,12,14H,6-7H2,1-5H3,(H,15,16)
InChIKeyJSZGZVCQTNHKIW-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.31
Rot. Bonds6

About N,N,4-trimethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanamide

N,N,4-trimethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanamide (PubChem CID 43675104) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanamide
PubChem CID43675104
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN,N,4-trimethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanamide
SMILESCc1[nH]ncc1CNC(CC(C)C)C(=O)N(C)C
InChIInChI=1S/C13H24N4O/c1-9(2)6-12(13(18)17(4)5)14-7-11-8-15-16-10(11)3/h8-9,12,14H,6-7H2,1-5H3,(H,15,16)
InChIKeyJSZGZVCQTNHKIW-UHFFFAOYSA-N
XLogP1.31
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 53607259
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-propan-2-ylacetamide
CID 43663763
2-methyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one
CID 43747825
1-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]azepan-2-one
CID 56817425
2-Methyl-N-((3-methyl-1h-pyrazol-4-yl)methyl)pentanamide
CID 60767988
methyl 3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 71933304
N',N'-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanediamide
CID 75425496
N~2~-acetyl-N~1~-methyl-N~1~-(1H-pyrazol-3-ylmethyl)norvalinamide
CID 86287249
1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]azepan-2-one
CID 86808383
1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
CID 86808415
N-tert-butyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetamide
CID 86808840
(2S)-2-N,2-N,4-trimethyl-1-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentane-1,2-diamine
CID 93257810

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanamide?
The IUPAC name of N,N,4-trimethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanamide (CID 43675104) is N,N,4-trimethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanamide.
What is the SMILES notation for N,N,4-trimethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanamide?
The canonical SMILES for N,N,4-trimethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanamide is Cc1[nH]ncc1CNC(CC(C)C)C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanamide?
The InChIKey is JSZGZVCQTNHKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-9(2)6-12(13(18)17(4)5)14-7-11-8-15-16-10(11)3/h8-9,12,14H,6-7H2,1-5H3,(H,15,16).
What are the key properties of N,N,4-trimethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanamide?
N,N,4-trimethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanamide has a molecular weight of 252.36 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanamide is sourced from PubChem (CID 43675104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).