4-(5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)pentan-1-amine

C12H17ClN4 — CID 123911987

IUPAC4-(5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)pentan-1-amine
SMILESCc1cnn2c(C(C)CCCN)cc(Cl)nc12
InChIInChI=1S/C12H17ClN4/c1-8(4-3-5-14)10-6-11(13)16-12-9(2)7-15-17(10)12/h6-8H,3-5,14H2,1-2H3
InChIKeyRHUQIFSZGVOSKE-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.53
Rot. Bonds4

About 4-(5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)pentan-1-amine

4-(5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)pentan-1-amine (PubChem CID 123911987) has the molecular formula C12H17ClN4 and a molecular weight of 252.75 g/mol. Its IUPAC name is 4-(5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)pentan-1-amine.

Molecular Properties

Compound Name4-(5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)pentan-1-amine
PubChem CID123911987
Molecular FormulaC12H17ClN4
Molecular Weight252.75 g/mol
Exact Mass252.11
IUPAC Name4-(5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)pentan-1-amine
SMILESCc1cnn2c(C(C)CCCN)cc(Cl)nc12
InChIInChI=1S/C12H17ClN4/c1-8(4-3-5-14)10-6-11(13)16-12-9(2)7-15-17(10)12/h6-8H,3-5,14H2,1-2H3
InChIKeyRHUQIFSZGVOSKE-UHFFFAOYSA-N
XLogP2.53
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)pentan-1-amine?
The IUPAC name of 4-(5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)pentan-1-amine (CID 123911987) is 4-(5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)pentan-1-amine.
What is the SMILES notation for 4-(5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)pentan-1-amine?
The canonical SMILES for 4-(5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)pentan-1-amine is Cc1cnn2c(C(C)CCCN)cc(Cl)nc12.
What is the InChIKey of 4-(5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)pentan-1-amine?
The InChIKey is RHUQIFSZGVOSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4/c1-8(4-3-5-14)10-6-11(13)16-12-9(2)7-15-17(10)12/h6-8H,3-5,14H2,1-2H3.
What are the key properties of 4-(5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)pentan-1-amine?
4-(5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)pentan-1-amine has a molecular weight of 252.75 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)pentan-1-amine is sourced from PubChem (CID 123911987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).