N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrazole-4-carboxamide

C9H15N5O2 — CID 83115021

IUPACN-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)NCCNC(=O)c1cn[nH]c1
InChIInChI=1S/C9H15N5O2/c1-14(2)9(16)11-4-3-10-8(15)7-5-12-13-6-7/h5-6H,3-4H2,1-2H3,(H,10,15)(H,11,16)(H,12,13)
InChIKeyRJBOMQBXWZSRBR-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.59
Rot. Bonds4

About N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrazole-4-carboxamide

N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 83115021) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID83115021
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC NameN-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)NCCNC(=O)c1cn[nH]c1
InChIInChI=1S/C9H15N5O2/c1-14(2)9(16)11-4-3-10-8(15)7-5-12-13-6-7/h5-6H,3-4H2,1-2H3,(H,10,15)(H,11,16)(H,12,13)
InChIKeyRJBOMQBXWZSRBR-UHFFFAOYSA-N
XLogP-0.59
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminobutyl)-1H-pyrazole-4-carboxamide
CID 63253393
N-(methoxymethyl)-1H-pyrazole-4-carboxamide
CID 154047785
2-methyl-4-(1H-pyrazole-4-carbonylamino)butanoic acid
CID 80538314
N-(3-methylsulfonylpropyl)-1H-pyrazole-4-carboxamide
CID 61037227
4-[2-(dimethylcarbamoylamino)ethylcarbamoyl]benzoic acid
CID 83115013
N-[2-(dimethylcarbamoylamino)ethyl]-3,5-dihydroxybenzamide
CID 108575005
N-(6-aminohexyl)-1H-pyrazole-4-carboxamide
CID 107843778
N-(6-chlorohexyl)-1H-pyrazole-4-carboxamide
CID 107846522
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-4-carboxamide
CID 43582437
2-[2-(1H-pyrazole-4-carbonylamino)ethoxy]acetic acid
CID 79469118
ethyl 4-(1H-pyrazole-4-carbonylamino)butanoate
CID 60788161
N-[2-(cycloheptylamino)ethyl]-1H-pyrazole-4-carboxamide
CID 113283330

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrazole-4-carboxamide (CID 83115021) is N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrazole-4-carboxamide is CN(C)C(=O)NCCNC(=O)c1cn[nH]c1.
What is the InChIKey of N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is RJBOMQBXWZSRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-14(2)9(16)11-4-3-10-8(15)7-5-12-13-6-7/h5-6H,3-4H2,1-2H3,(H,10,15)(H,11,16)(H,12,13).
What are the key properties of N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrazole-4-carboxamide?
N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 83115021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).