N-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazine-3-carboxamide

C13H17ClN4O — CID 103122348

IUPACN-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCC(C)N(CCCCl)C(=O)c1cnn2ccncc12
InChIInChI=1S/C13H17ClN4O/c1-10(2)17(6-3-4-14)13(19)11-8-16-18-7-5-15-9-12(11)18/h5,7-10H,3-4,6H2,1-2H3
InChIKeyXXMACNZHCDMJKL-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.21
Rot. Bonds5

About N-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazine-3-carboxamide

N-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 103122348) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID103122348
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC NameN-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCC(C)N(CCCCl)C(=O)c1cnn2ccncc12
InChIInChI=1S/C13H17ClN4O/c1-10(2)17(6-3-4-14)13(19)11-8-16-18-7-5-15-9-12(11)18/h5,7-10H,3-4,6H2,1-2H3
InChIKeyXXMACNZHCDMJKL-UHFFFAOYSA-N
XLogP2.21
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazine-3-carboxamide (CID 103122348) is N-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazine-3-carboxamide is CC(C)N(CCCCl)C(=O)c1cnn2ccncc12.
What is the InChIKey of N-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is XXMACNZHCDMJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c1-10(2)17(6-3-4-14)13(19)11-8-16-18-7-5-15-9-12(11)18/h5,7-10H,3-4,6H2,1-2H3.
What are the key properties of N-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazine-3-carboxamide?
N-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 280.76 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 103122348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).