N-(2-aminoethyl)-5-methyl-1-propylpyrazole-4-carboxamide

C10H18N4O — CID 19621017

IUPACN-(2-aminoethyl)-5-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NCCN)c1C
InChIInChI=1S/C10H18N4O/c1-3-6-14-8(2)9(7-13-14)10(15)12-5-4-11/h7H,3-6,11H2,1-2H3,(H,12,15)
InChIKeyPNXCCEONGAZICQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.29
Rot. Bonds5

About N-(2-aminoethyl)-5-methyl-1-propylpyrazole-4-carboxamide

N-(2-aminoethyl)-5-methyl-1-propylpyrazole-4-carboxamide (PubChem CID 19621017) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-methyl-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-methyl-1-propylpyrazole-4-carboxamide
PubChem CID19621017
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-(2-aminoethyl)-5-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NCCN)c1C
InChIInChI=1S/C10H18N4O/c1-3-6-14-8(2)9(7-13-14)10(15)12-5-4-11/h7H,3-6,11H2,1-2H3,(H,12,15)
InChIKeyPNXCCEONGAZICQ-UHFFFAOYSA-N
XLogP0.29
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
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 ≤ 104

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Related Compounds

(2R)-2-methyl-3-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid
CID 97283275
1-(3-aminopropyl)-5-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-carboxamide
CID 104758377
5-methyl-1-propyl-N-[3-(pyridin-3-ylamino)propyl]pyrazole-4-carboxamide
CID 72864277
5-methyl-N-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]-1-propylpyrazole-4-carboxamide
CID 95188653
1-(3-aminopropyl)-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide
CID 64517209
N-[2-(dimethylamino)ethyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide
CID 72881553
1-(3-aminopropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methylpyrazole-4-carboxamide
CID 106033658
N-[2-(2-aminoethylcarbamoyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide
CID 120604390
N-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 97116423
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 72855145
N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 146043233
N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793385

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-methyl-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-methyl-1-propylpyrazole-4-carboxamide (CID 19621017) is N-(2-aminoethyl)-5-methyl-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-methyl-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-methyl-1-propylpyrazole-4-carboxamide is CCCn1ncc(C(=O)NCCN)c1C.
What is the InChIKey of N-(2-aminoethyl)-5-methyl-1-propylpyrazole-4-carboxamide?
The InChIKey is PNXCCEONGAZICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-6-14-8(2)9(7-13-14)10(15)12-5-4-11/h7H,3-6,11H2,1-2H3,(H,12,15).
What are the key properties of N-(2-aminoethyl)-5-methyl-1-propylpyrazole-4-carboxamide?
N-(2-aminoethyl)-5-methyl-1-propylpyrazole-4-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-methyl-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 19621017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).