N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-methyl-1-propylpyrazole-4-carboxamide

C19H30N4O2 — CID 25446356

IUPACN-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)N[C@@H]2CC(=O)N(C3CCCCCC3)C2)c(C)n1
InChIInChI=1S/C19H30N4O2/c1-3-10-22-13-17(14(2)21-22)19(25)20-15-11-18(24)23(12-15)16-8-6-4-5-7-9-16/h13,15-16H,3-12H2,1-2H3,(H,20,25)/t15-/m1/s1
InChIKeyBUSZZHDCVIVXQG-OAHLLOKOSA-N
MW346.48 g/mol
LogP2.66
Rot. Bonds5

About N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-methyl-1-propylpyrazole-4-carboxamide

N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-methyl-1-propylpyrazole-4-carboxamide (PubChem CID 25446356) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-methyl-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-methyl-1-propylpyrazole-4-carboxamide
PubChem CID25446356
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)N[C@@H]2CC(=O)N(C3CCCCCC3)C2)c(C)n1
InChIInChI=1S/C19H30N4O2/c1-3-10-22-13-17(14(2)21-22)19(25)20-15-11-18(24)23(12-15)16-8-6-4-5-7-9-16/h13,15-16H,3-12H2,1-2H3,(H,20,25)/t15-/m1/s1
InChIKeyBUSZZHDCVIVXQG-OAHLLOKOSA-N
XLogP2.66
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-methyl-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-methyl-1-propylpyrazole-4-carboxamide (CID 25446356) is N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-methyl-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-methyl-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-methyl-1-propylpyrazole-4-carboxamide is CCCn1cc(C(=O)N[C@@H]2CC(=O)N(C3CCCCCC3)C2)c(C)n1.
What is the InChIKey of N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-methyl-1-propylpyrazole-4-carboxamide?
The InChIKey is BUSZZHDCVIVXQG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-3-10-22-13-17(14(2)21-22)19(25)20-15-11-18(24)23(12-15)16-8-6-4-5-7-9-16/h13,15-16H,3-12H2,1-2H3,(H,20,25)/t15-/m1/s1.
What are the key properties of N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-methyl-1-propylpyrazole-4-carboxamide?
N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-methyl-1-propylpyrazole-4-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-methyl-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 25446356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).