N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide

C10H16N4O2 — CID 61041491

IUPACN-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide
SMILESCCCN(CC(=O)NC)C(=O)c1cn[nH]c1
InChIInChI=1S/C10H16N4O2/c1-3-4-14(7-9(15)11-2)10(16)8-5-12-13-6-8/h5-6H,3-4,7H2,1-2H3,(H,11,15)(H,12,13)
InChIKeyBHNRXCIBHVITOG-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.01
Rot. Bonds5

About N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide

N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide (PubChem CID 61041491) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide
PubChem CID61041491
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide
SMILESCCCN(CC(=O)NC)C(=O)c1cn[nH]c1
InChIInChI=1S/C10H16N4O2/c1-3-4-14(7-9(15)11-2)10(16)8-5-12-13-6-8/h5-6H,3-4,7H2,1-2H3,(H,11,15)(H,12,13)
InChIKeyBHNRXCIBHVITOG-UHFFFAOYSA-N
XLogP0.01
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-ethyl-1H-pyrazole-4-carboxamide
CID 63085431
N-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide
CID 22925181
N-methyl-1H-pyrazole-4-carboxamide;propane
CID 155700970
N,N-bis(2-methoxyethyl)-1H-pyrazole-4-carboxamide
CID 43533016
4-amino-3,5-dichloro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 82833354
N,N-bis(2-amino-2-oxoethyl)-1H-pyrazole-4-carboxamide
CID 62923169
N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614789
N,N-bis[3-(dimethylamino)propyl]-1H-pyrazole-4-carboxamide
CID 60959519
N-[3-(dimethylamino)propyl]-N-ethyl-1H-pyrazole-4-carboxamide
CID 102978931
3-bromo-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 61040728
3-chloro-4-iodo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 103735187
N-ethyl-N-prop-2-ynyl-1H-pyrazole-4-carboxamide
CID 78975317

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide (CID 61041491) is N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide is CCCN(CC(=O)NC)C(=O)c1cn[nH]c1.
What is the InChIKey of N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide?
The InChIKey is BHNRXCIBHVITOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-3-4-14(7-9(15)11-2)10(16)8-5-12-13-6-8/h5-6H,3-4,7H2,1-2H3,(H,11,15)(H,12,13).
What are the key properties of N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide?
N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61041491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).