N-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

C12H17ClN4 — CID 104733810

IUPACN-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)N(CCCCl)c1nccn2nccc12
InChIInChI=1S/C12H17ClN4/c1-10(2)16(8-3-5-13)12-11-4-6-15-17(11)9-7-14-12/h4,6-7,9-10H,3,5,8H2,1-2H3
InChIKeyWCOACEPNVLDYMY-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.57
Rot. Bonds5

About N-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

N-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104733810) has the molecular formula C12H17ClN4 and a molecular weight of 252.75 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104733810
Molecular FormulaC12H17ClN4
Molecular Weight252.75 g/mol
Exact Mass252.11
IUPAC NameN-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)N(CCCCl)c1nccn2nccc12
InChIInChI=1S/C12H17ClN4/c1-10(2)16(8-3-5-13)12-11-4-6-15-17(11)9-7-14-12/h4,6-7,9-10H,3,5,8H2,1-2H3
InChIKeyWCOACEPNVLDYMY-UHFFFAOYSA-N
XLogP2.57
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104734038
3-chloro-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine
CID 63388310
N-(3-chloropropyl)-N-propan-2-ylimidazo[1,2-a]pyridin-5-amine
CID 102627021
N-(3-chloropropyl)-1-methyl-N-propan-2-ylimidazol-2-amine
CID 63388587
N'-ethyl-N-propan-2-yl-N'-pyrazolo[1,5-a]pyrazin-4-ylethane-1,2-diamine
CID 104733684
N'-ethyl-N'-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,3-diamine
CID 104729830
4-(1-chloropropan-2-ylsulfonyl)pyrazolo[1,5-a]pyrazine
CID 104732304
methyl 4-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]butanoate
CID 113446558
3-[2-chloroethyl(propan-2-yl)amino]-1-propan-2-ylpyrazin-2-one
CID 55184433
N'-methyl-N'-propan-2-yl-N-pyrazolo[1,5-a]pyrazin-4-ylbutane-1,4-diamine
CID 104731249
N-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106354243
N-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 171691640

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (CID 104733810) is N-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is CC(C)N(CCCCl)c1nccn2nccc12.
What is the InChIKey of N-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is WCOACEPNVLDYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4/c1-10(2)16(8-3-5-13)12-11-4-6-15-17(11)9-7-14-12/h4,6-7,9-10H,3,5,8H2,1-2H3.
What are the key properties of N-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
N-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 252.75 g/mol, XLogP of 2.57, 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]pyrazin-4-amine is sourced from PubChem (CID 104733810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).