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

C19H32N4O2 — CID 110127443

IUPACN-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N,3,5-trimethyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1nc(C)c(C(=O)N(C)[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)c1C
InChIInChI=1S/C19H32N4O2/c1-5-10-23-14(3)17(13(2)20-23)19(25)21(4)15-8-9-16(18(15)24)22-11-6-7-12-22/h15-16,18,24H,5-12H2,1-4H3/t15-,16-,18-/m1/s1
InChIKeyHANMPWBLJVAKKZ-JFIYKMOQSA-N
MW348.49 g/mol
LogP1.97
Rot. Bonds5

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

N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N,3,5-trimethyl-1-propylpyrazole-4-carboxamide (PubChem CID 110127443) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N,3,5-trimethyl-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N,3,5-trimethyl-1-propylpyrazole-4-carboxamide
PubChem CID110127443
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC NameN-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N,3,5-trimethyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1nc(C)c(C(=O)N(C)[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)c1C
InChIInChI=1S/C19H32N4O2/c1-5-10-23-14(3)17(13(2)20-23)19(25)21(4)15-8-9-16(18(15)24)22-11-6-7-12-22/h15-16,18,24H,5-12H2,1-4H3/t15-,16-,18-/m1/s1
InChIKeyHANMPWBLJVAKKZ-JFIYKMOQSA-N
XLogP1.97
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N,3,5-trimethyl-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N,3,5-trimethyl-1-propylpyrazole-4-carboxamide (CID 110127443) is N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N,3,5-trimethyl-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N,3,5-trimethyl-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N,3,5-trimethyl-1-propylpyrazole-4-carboxamide is CCCn1nc(C)c(C(=O)N(C)[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)c1C.
What is the InChIKey of N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N,3,5-trimethyl-1-propylpyrazole-4-carboxamide?
The InChIKey is HANMPWBLJVAKKZ-JFIYKMOQSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-5-10-23-14(3)17(13(2)20-23)19(25)21(4)15-8-9-16(18(15)24)22-11-6-7-12-22/h15-16,18,24H,5-12H2,1-4H3/t15-,16-,18-/m1/s1.
What are the key properties of N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N,3,5-trimethyl-1-propylpyrazole-4-carboxamide?
N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N,3,5-trimethyl-1-propylpyrazole-4-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N,3,5-trimethyl-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 110127443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).