N-(1-chloro-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine

C12H17ClN4 — CID 106167749

IUPACN-(1-chloro-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCCC(C)(CCCl)Nc1ccn2nccc2n1
InChIInChI=1S/C12H17ClN4/c1-3-12(2,6-7-13)16-10-5-9-17-11(15-10)4-8-14-17/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,16)
InChIKeyCDXCWWWYWNLAHA-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.94
Rot. Bonds5

About N-(1-chloro-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine

N-(1-chloro-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 106167749) has the molecular formula C12H17ClN4 and a molecular weight of 252.75 g/mol. Its IUPAC name is N-(1-chloro-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(1-chloro-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID106167749
Molecular FormulaC12H17ClN4
Molecular Weight252.75 g/mol
Exact Mass252.11
IUPAC NameN-(1-chloro-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCCC(C)(CCCl)Nc1ccn2nccc2n1
InChIInChI=1S/C12H17ClN4/c1-3-12(2,6-7-13)16-10-5-9-17-11(15-10)4-8-14-17/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,16)
InChIKeyCDXCWWWYWNLAHA-UHFFFAOYSA-N
XLogP2.94
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2,2-dimethylpentyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 106142058
2,4-dimethyl-2-N-pyrazolo[1,5-a]pyrimidin-5-ylpentane-1,2-diamine
CID 115372835
2-methyl-1-(pyrazolo[1,5-a]pyrimidin-5-ylamino)propan-2-ol
CID 115372604
N-[(2-ethylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372598
N',N'-diethyl-N-pyrazolo[1,5-a]pyrimidin-5-ylethane-1,2-diamine
CID 113296634
N',N'-diethyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine
CID 115372327
N-but-3-ynylpyrazolo[1,5-a]pyrimidin-5-amine
CID 115372581
N-(3-methoxypropyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372342
N-(3-methylsulfanylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372575
N-[2-(chloromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115373205
N-[2-(3-methylbutoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 113296697
N-(3-methoxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372504

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(1-chloro-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 106167749) is N-(1-chloro-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(1-chloro-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(1-chloro-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine is CCC(C)(CCCl)Nc1ccn2nccc2n1.
What is the InChIKey of N-(1-chloro-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is CDXCWWWYWNLAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4/c1-3-12(2,6-7-13)16-10-5-9-17-11(15-10)4-8-14-17/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,16).
What are the key properties of N-(1-chloro-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
N-(1-chloro-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 252.75 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 106167749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).