5-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide

C11H18N4O2 — CID 114951112

IUPAC5-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)c1cn[nH]c1N
InChIInChI=1S/C11H18N4O2/c1-15(7-11(17)4-2-3-5-11)10(16)8-6-13-14-9(8)12/h6,17H,2-5,7H2,1H3,(H3,12,13,14)
InChIKeyXRAQZOBFQDBSPL-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.37
Rot. Bonds3

About 5-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide

5-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide (PubChem CID 114951112) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide
PubChem CID114951112
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)c1cn[nH]c1N
InChIInChI=1S/C11H18N4O2/c1-15(7-11(17)4-2-3-5-11)10(16)8-6-13-14-9(8)12/h6,17H,2-5,7H2,1H3,(H3,12,13,14)
InChIKeyXRAQZOBFQDBSPL-UHFFFAOYSA-N
XLogP0.37
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 114953067
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-5-[(3R)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129477024
5-amino-N-methyl-N-(oxolan-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 61435935
5-amino-N-butyl-N-methyl-1H-pyrazole-4-carboxamide
CID 43159518
5-amino-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 61435982
3-amino-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 114946671
4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-carboxamide
CID 115869317
5-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzamide
CID 103296926
2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 114946703
6-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 114946750
N-[(1-hydroxycycloheptyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 136533598
5-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 63235520

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide (CID 114951112) is 5-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide is CN(CC1(O)CCCC1)C(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is XRAQZOBFQDBSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-15(7-11(17)4-2-3-5-11)10(16)8-6-13-14-9(8)12/h6,17H,2-5,7H2,1H3,(H3,12,13,14).
What are the key properties of 5-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide?
5-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 114951112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).