N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

C13H22N4O2 — CID 91646049

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCO[C@H]1CNCC1NC(=O)c1cc(C(C)C)nn1C
InChIInChI=1S/C13H22N4O2/c1-8(2)9-5-11(17(3)16-9)13(18)15-10-6-14-7-12(10)19-4/h5,8,10,12,14H,6-7H2,1-4H3,(H,15,18)/t10?,12-/m0/s1
InChIKeyXSSYGMKIARTHCZ-KFJBMODSSA-N
MW266.34 g/mol
LogP0.26
Rot. Bonds4

About N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 91646049) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID91646049
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCO[C@H]1CNCC1NC(=O)c1cc(C(C)C)nn1C
InChIInChI=1S/C13H22N4O2/c1-8(2)9-5-11(17(3)16-9)13(18)15-10-6-14-7-12(10)19-4/h5,8,10,12,14H,6-7H2,1-4H3,(H,15,18)/t10?,12-/m0/s1
InChIKeyXSSYGMKIARTHCZ-KFJBMODSSA-N
XLogP0.26
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (CID 91646049) is N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is CO[C@H]1CNCC1NC(=O)c1cc(C(C)C)nn1C.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is XSSYGMKIARTHCZ-KFJBMODSSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-8(2)9-5-11(17(3)16-9)13(18)15-10-6-14-7-12(10)19-4/h5,8,10,12,14H,6-7H2,1-4H3,(H,15,18)/t10?,12-/m0/s1.
What are the key properties of N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 91646049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).