N-(1-cyclopropylpyrrolidin-3-yl)-3-ethoxy-N-methyl-1H-pyrazole-5-carboxamide

C14H22N4O2 — CID 138034487

IUPACN-(1-cyclopropylpyrrolidin-3-yl)-3-ethoxy-N-methyl-1H-pyrazole-5-carboxamide
SMILESCCOc1cc(C(=O)N(C)C2CCN(C3CC3)C2)[nH]n1
InChIInChI=1S/C14H22N4O2/c1-3-20-13-8-12(15-16-13)14(19)17(2)11-6-7-18(9-11)10-4-5-10/h8,10-11H,3-7,9H2,1-2H3,(H,15,16)
InChIKeyXLLLUGLWASPKLB-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.12
Rot. Bonds5

About N-(1-cyclopropylpyrrolidin-3-yl)-3-ethoxy-N-methyl-1H-pyrazole-5-carboxamide

N-(1-cyclopropylpyrrolidin-3-yl)-3-ethoxy-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 138034487) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(1-cyclopropylpyrrolidin-3-yl)-3-ethoxy-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylpyrrolidin-3-yl)-3-ethoxy-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID138034487
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-(1-cyclopropylpyrrolidin-3-yl)-3-ethoxy-N-methyl-1H-pyrazole-5-carboxamide
SMILESCCOc1cc(C(=O)N(C)C2CCN(C3CC3)C2)[nH]n1
InChIInChI=1S/C14H22N4O2/c1-3-20-13-8-12(15-16-13)14(19)17(2)11-6-7-18(9-11)10-4-5-10/h8,10-11H,3-7,9H2,1-2H3,(H,15,16)
InChIKeyXLLLUGLWASPKLB-UHFFFAOYSA-N
XLogP1.12
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-3-ethoxy-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-3-ethoxy-N-methyl-1H-pyrazole-5-carboxamide (CID 138034487) is N-(1-cyclopropylpyrrolidin-3-yl)-3-ethoxy-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(1-cyclopropylpyrrolidin-3-yl)-3-ethoxy-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(1-cyclopropylpyrrolidin-3-yl)-3-ethoxy-N-methyl-1H-pyrazole-5-carboxamide is CCOc1cc(C(=O)N(C)C2CCN(C3CC3)C2)[nH]n1.
What is the InChIKey of N-(1-cyclopropylpyrrolidin-3-yl)-3-ethoxy-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is XLLLUGLWASPKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-20-13-8-12(15-16-13)14(19)17(2)11-6-7-18(9-11)10-4-5-10/h8,10-11H,3-7,9H2,1-2H3,(H,15,16).
What are the key properties of N-(1-cyclopropylpyrrolidin-3-yl)-3-ethoxy-N-methyl-1H-pyrazole-5-carboxamide?
N-(1-cyclopropylpyrrolidin-3-yl)-3-ethoxy-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpyrrolidin-3-yl)-3-ethoxy-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 138034487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).