N-[(2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]propan-1-amine

C16H17ClN4 — CID 103126263

IUPACN-[(2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccccc1Cl)c1cnn2ccncc12
InChIInChI=1S/C16H17ClN4/c1-2-7-19-16(12-5-3-4-6-14(12)17)13-10-20-21-9-8-18-11-15(13)21/h3-6,8-11,16,19H,2,7H2,1H3
InChIKeyATFFGCHJJDTAED-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.47
Rot. Bonds5

About N-[(2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]propan-1-amine

N-[(2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]propan-1-amine (PubChem CID 103126263) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]propan-1-amine
PubChem CID103126263
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC NameN-[(2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccccc1Cl)c1cnn2ccncc12
InChIInChI=1S/C16H17ClN4/c1-2-7-19-16(12-5-3-4-6-14(12)17)13-10-20-21-9-8-18-11-15(13)21/h3-6,8-11,16,19H,2,7H2,1H3
InChIKeyATFFGCHJJDTAED-UHFFFAOYSA-N
XLogP3.47
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[pyrazin-2-yl(pyrazolo[1,5-a]pyrazin-3-yl)methyl]propan-1-amine
CID 103127215
N-[(6-methyl-3-pyridinyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]propan-1-amine
CID 103127071
(2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine
CID 103126268
2-(2-chlorophenyl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126235
N-[(3-chloro-4-pyridinyl)-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 105141874
N-[(3-chloro-4-pyridinyl)-(2-methylphenyl)methyl]propan-1-amine
CID 105094789
N-[(4-chloro-1-methylpyrazol-5-yl)-(2-chlorophenyl)methyl]propan-1-amine
CID 114649321
N-[(2-propylpyrazol-3-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine
CID 103127143
N-(1-pyrazolo[1,5-a]pyrazin-3-yl-2-thiophen-2-ylethyl)propan-1-amine
CID 103126662
N-[(2-chlorophenyl)-(2-ethoxyphenyl)methyl]propan-1-amine
CID 63415844
N-[cyclopentyl(pyrazolo[1,5-a]pyrazin-3-yl)methyl]propan-1-amine
CID 103125844
N-[(2-chlorophenyl)-(2-iodophenyl)methyl]propan-1-amine
CID 115800974

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]propan-1-amine?
The IUPAC name of N-[(2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]propan-1-amine (CID 103126263) is N-[(2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]propan-1-amine is CCCNC(c1ccccc1Cl)c1cnn2ccncc12.
What is the InChIKey of N-[(2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]propan-1-amine?
The InChIKey is ATFFGCHJJDTAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4/c1-2-7-19-16(12-5-3-4-6-14(12)17)13-10-20-21-9-8-18-11-15(13)21/h3-6,8-11,16,19H,2,7H2,1H3.
What are the key properties of N-[(2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]propan-1-amine?
N-[(2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]propan-1-amine has a molecular weight of 300.79 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]propan-1-amine is sourced from PubChem (CID 103126263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).