N,N-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide

C10H18N4O — CID 60925704

IUPACN,N-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide
SMILESCc1[nH]ncc1CNCCC(=O)N(C)C
InChIInChI=1S/C10H18N4O/c1-8-9(7-12-13-8)6-11-5-4-10(15)14(2)3/h7,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyKHFXVZVLIFALSL-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.29
Rot. Bonds5

About N,N-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide

N,N-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide (PubChem CID 60925704) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N,N-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide
PubChem CID60925704
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN,N-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide
SMILESCc1[nH]ncc1CNCCC(=O)N(C)C
InChIInChI=1S/C10H18N4O/c1-8-9(7-12-13-8)6-11-5-4-10(15)14(2)3/h7,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyKHFXVZVLIFALSL-UHFFFAOYSA-N
XLogP0.29
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl carbamate
CID 83210014
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid
CID 43663721
2-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethoxy]acetamide
CID 106236062
tert-butyl N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245687
3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 63226414
N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptan-1-amine
CID 61004281
N-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetamide
CID 43663761
N,N-dimethyl-3-[(2,4,5-trifluorophenyl)methylamino]propanamide
CID 103792850
2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 61003845
3-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]propanoic acid
CID 61004286
3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 60767372
N-[(5-methyl-1H-pyrazol-4-yl)methyl]but-2-ynamide
CID 107989822

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide?
The IUPAC name of N,N-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide (CID 60925704) is N,N-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide is Cc1[nH]ncc1CNCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide?
The InChIKey is KHFXVZVLIFALSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8-9(7-12-13-8)6-11-5-4-10(15)14(2)3/h7,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of N,N-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide?
N,N-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide has a molecular weight of 210.28 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 60925704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).