N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N,3,5-trimethyl-1-propylpyrazole-4-carboxamide

C16H27N3O3 — CID 110125263

IUPACN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N,3,5-trimethyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1nc(C)c(C(=O)N(C)[C@@H]2CC[C@@H](OC)[C@@H]2O)c1C
InChIInChI=1S/C16H27N3O3/c1-6-9-19-11(3)14(10(2)17-19)16(21)18(4)12-7-8-13(22-5)15(12)20/h12-13,15,20H,6-9H2,1-5H3/t12-,13-,15-/m1/s1
InChIKeyCGQBIEUDBWBRKQ-UMVBOHGHSA-N
MW309.41 g/mol
LogP1.52
Rot. Bonds5

About N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N,3,5-trimethyl-1-propylpyrazole-4-carboxamide

N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N,3,5-trimethyl-1-propylpyrazole-4-carboxamide (PubChem CID 110125263) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N,3,5-trimethyl-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N,3,5-trimethyl-1-propylpyrazole-4-carboxamide
PubChem CID110125263
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N,3,5-trimethyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1nc(C)c(C(=O)N(C)[C@@H]2CC[C@@H](OC)[C@@H]2O)c1C
InChIInChI=1S/C16H27N3O3/c1-6-9-19-11(3)14(10(2)17-19)16(21)18(4)12-7-8-13(22-5)15(12)20/h12-13,15,20H,6-9H2,1-5H3/t12-,13-,15-/m1/s1
InChIKeyCGQBIEUDBWBRKQ-UMVBOHGHSA-N
XLogP1.52
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N,3,5-trimethyl-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N,3,5-trimethyl-1-propylpyrazole-4-carboxamide (CID 110125263) is N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N,3,5-trimethyl-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N,3,5-trimethyl-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N,3,5-trimethyl-1-propylpyrazole-4-carboxamide is CCCn1nc(C)c(C(=O)N(C)[C@@H]2CC[C@@H](OC)[C@@H]2O)c1C.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N,3,5-trimethyl-1-propylpyrazole-4-carboxamide?
The InChIKey is CGQBIEUDBWBRKQ-UMVBOHGHSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-6-9-19-11(3)14(10(2)17-19)16(21)18(4)12-7-8-13(22-5)15(12)20/h12-13,15,20H,6-9H2,1-5H3/t12-,13-,15-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N,3,5-trimethyl-1-propylpyrazole-4-carboxamide?
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N,3,5-trimethyl-1-propylpyrazole-4-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N,3,5-trimethyl-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 110125263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).