N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide

C11H18N4O2 — CID 43595993

IUPACN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N(C)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C11H18N4O2/c1-6-10(7(2)14-13-6)11(17)15(3)8-4-12-5-9(8)16/h8-9,12,16H,4-5H2,1-3H3,(H,13,14)/t8-,9-/m1/s1
InChIKeyOKPNLPRQTGEUGF-RKDXNWHRSA-N
MW238.29 g/mol
LogP-0.57
Rot. Bonds2

About N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide

N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide (PubChem CID 43595993) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide
PubChem CID43595993
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N(C)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C11H18N4O2/c1-6-10(7(2)14-13-6)11(17)15(3)8-4-12-5-9(8)16/h8-9,12,16H,4-5H2,1-3H3,(H,13,14)/t8-,9-/m1/s1
InChIKeyOKPNLPRQTGEUGF-RKDXNWHRSA-N
XLogP-0.57
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide (CID 43595993) is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)N(C)[C@@H]1CNC[C@H]1O.
What is the InChIKey of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is OKPNLPRQTGEUGF-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-6-10(7(2)14-13-6)11(17)15(3)8-4-12-5-9(8)16/h8-9,12,16H,4-5H2,1-3H3,(H,13,14)/t8-,9-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide?
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 238.29 g/mol, XLogP of -0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43595993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).