4-amino-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide

C13H22N4O2 — CID 114946837

IUPAC4-amino-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)N(C)CC2(O)CCCC2)n1
InChIInChI=1S/C13H22N4O2/c1-3-17-8-10(14)11(15-17)12(18)16(2)9-13(19)6-4-5-7-13/h8,19H,3-7,9,14H2,1-2H3
InChIKeyMSSVJKSSIAYPDS-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.86
Rot. Bonds4

About 4-amino-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide

4-amino-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide (PubChem CID 114946837) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide
PubChem CID114946837
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-amino-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)N(C)CC2(O)CCCC2)n1
InChIInChI=1S/C13H22N4O2/c1-3-17-8-10(14)11(15-17)12(18)16(2)9-13(19)6-4-5-7-13/h8,19H,3-7,9,14H2,1-2H3
InChIKeyMSSVJKSSIAYPDS-UHFFFAOYSA-N
XLogP0.86
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide (CID 114946837) is 4-amino-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide is CCn1cc(N)c(C(=O)N(C)CC2(O)CCCC2)n1.
What is the InChIKey of 4-amino-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide?
The InChIKey is MSSVJKSSIAYPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-17-8-10(14)11(15-17)12(18)16(2)9-13(19)6-4-5-7-13/h8,19H,3-7,9,14H2,1-2H3.
What are the key properties of 4-amino-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide?
4-amino-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 114946837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).