N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide

C18H30N4O2 — CID 110127328

IUPACN-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1nc(C)c(C(=O)N[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)c1C
InChIInChI=1S/C18H30N4O2/c1-4-9-22-13(3)16(12(2)20-22)18(24)19-14-7-8-15(17(14)23)21-10-5-6-11-21/h14-15,17,23H,4-11H2,1-3H3,(H,19,24)/t14-,15-,17-/m1/s1
InChIKeyPFEBMOIMLKAFGC-BFYDXBDKSA-N
MW334.46 g/mol
LogP1.63
Rot. Bonds5

About N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide

N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide (PubChem CID 110127328) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide
PubChem CID110127328
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1nc(C)c(C(=O)N[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)c1C
InChIInChI=1S/C18H30N4O2/c1-4-9-22-13(3)16(12(2)20-22)18(24)19-14-7-8-15(17(14)23)21-10-5-6-11-21/h14-15,17,23H,4-11H2,1-3H3,(H,19,24)/t14-,15-,17-/m1/s1
InChIKeyPFEBMOIMLKAFGC-BFYDXBDKSA-N
XLogP1.63
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide (CID 110127328) is N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide is CCCn1nc(C)c(C(=O)N[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)c1C.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide?
The InChIKey is PFEBMOIMLKAFGC-BFYDXBDKSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-4-9-22-13(3)16(12(2)20-22)18(24)19-14-7-8-15(17(14)23)21-10-5-6-11-21/h14-15,17,23H,4-11H2,1-3H3,(H,19,24)/t14-,15-,17-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide?
N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 110127328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).