3-amino-N-hexan-3-yl-1H-pyrazole-5-carboxamide

C10H18N4O — CID 64525274

IUPAC3-amino-N-hexan-3-yl-1H-pyrazole-5-carboxamide
SMILESCCCC(CC)NC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C10H18N4O/c1-3-5-7(4-2)12-10(15)8-6-9(11)14-13-8/h6-7H,3-5H2,1-2H3,(H,12,15)(H3,11,13,14)
InChIKeyMNUHSCJRAPWXMM-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.30
Rot. Bonds5

About 3-amino-N-hexan-3-yl-1H-pyrazole-5-carboxamide

3-amino-N-hexan-3-yl-1H-pyrazole-5-carboxamide (PubChem CID 64525274) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-amino-N-hexan-3-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-hexan-3-yl-1H-pyrazole-5-carboxamide
PubChem CID64525274
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-amino-N-hexan-3-yl-1H-pyrazole-5-carboxamide
SMILESCCCC(CC)NC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C10H18N4O/c1-3-5-7(4-2)12-10(15)8-6-9(11)14-13-8/h6-7H,3-5H2,1-2H3,(H,12,15)(H3,11,13,14)
InChIKeyMNUHSCJRAPWXMM-UHFFFAOYSA-N
XLogP1.30
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-butan-2-yl-1H-pyrazole-5-carboxamide
CID 64524201
3-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-5-carboxamide
CID 64524870
3-amino-N-(2-methylpentan-3-yl)-1H-pyrazole-5-carboxamide
CID 64524872
3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 106281052
3-amino-N-(2-methylbutyl)-1H-pyrazole-5-carboxamide
CID 64524098
4-amino-5-ethyl-N-hexan-3-yl-1H-pyrazole-3-carboxamide
CID 62092746
3-amino-N-pentyl-1H-pyrazole-5-carboxamide
CID 64525391
4-bromo-N-hexan-3-yl-1H-pyrrole-2-carboxamide
CID 62047480
3-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide
CID 64524871
3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-5-carboxamide
CID 114163943
4-amino-N-hexan-3-ylbenzamide
CID 62094734
1-(3-amino-1H-pyrazol-5-yl)propan-1-one
CID 143337628

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-hexan-3-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-hexan-3-yl-1H-pyrazole-5-carboxamide (CID 64525274) is 3-amino-N-hexan-3-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-hexan-3-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-hexan-3-yl-1H-pyrazole-5-carboxamide is CCCC(CC)NC(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-hexan-3-yl-1H-pyrazole-5-carboxamide?
The InChIKey is MNUHSCJRAPWXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-5-7(4-2)12-10(15)8-6-9(11)14-13-8/h6-7H,3-5H2,1-2H3,(H,12,15)(H3,11,13,14).
What are the key properties of 3-amino-N-hexan-3-yl-1H-pyrazole-5-carboxamide?
3-amino-N-hexan-3-yl-1H-pyrazole-5-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-hexan-3-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64525274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).