5-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-(2-piperidin-1-ylethyl)-1H-pyrazole-3,5-diamine

C16H25N7 — CID 143259038

IUPAC5-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-(2-piperidin-1-ylethyl)-1H-pyrazole-3,5-diamine
SMILESc1c(NCCN2CCCCC2)n[nH]c1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C16H25N7/c1-2-7-23(8-3-1)9-6-17-14-11-16(22-20-14)18-15-10-13(19-21-15)12-4-5-12/h10-12H,1-9H2,(H4,17,18,19,20,21,22)
InChIKeyKQOFSHDJDOMNCC-UHFFFAOYSA-N
MW315.43 g/mol
LogP2.65
Rot. Bonds7

About 5-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-(2-piperidin-1-ylethyl)-1H-pyrazole-3,5-diamine

5-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-(2-piperidin-1-ylethyl)-1H-pyrazole-3,5-diamine (PubChem CID 143259038) has the molecular formula C16H25N7 and a molecular weight of 315.43 g/mol. Its IUPAC name is 5-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-(2-piperidin-1-ylethyl)-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-(2-piperidin-1-ylethyl)-1H-pyrazole-3,5-diamine
PubChem CID143259038
Molecular FormulaC16H25N7
Molecular Weight315.43 g/mol
Exact Mass315.22
IUPAC Name5-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-(2-piperidin-1-ylethyl)-1H-pyrazole-3,5-diamine
SMILESc1c(NCCN2CCCCC2)n[nH]c1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C16H25N7/c1-2-7-23(8-3-1)9-6-17-14-11-16(22-20-14)18-15-10-13(19-21-15)12-4-5-12/h10-12H,1-9H2,(H4,17,18,19,20,21,22)
InChIKeyKQOFSHDJDOMNCC-UHFFFAOYSA-N
XLogP2.65
TPSA84.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-(2-piperidin-1-ylethyl)-1H-pyrazole-3,5-diamine?
The IUPAC name of 5-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-(2-piperidin-1-ylethyl)-1H-pyrazole-3,5-diamine (CID 143259038) is 5-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-(2-piperidin-1-ylethyl)-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 5-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-(2-piperidin-1-ylethyl)-1H-pyrazole-3,5-diamine?
The canonical SMILES for 5-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-(2-piperidin-1-ylethyl)-1H-pyrazole-3,5-diamine is c1c(NCCN2CCCCC2)n[nH]c1Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-(2-piperidin-1-ylethyl)-1H-pyrazole-3,5-diamine?
The InChIKey is KQOFSHDJDOMNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7/c1-2-7-23(8-3-1)9-6-17-14-11-16(22-20-14)18-15-10-13(19-21-15)12-4-5-12/h10-12H,1-9H2,(H4,17,18,19,20,21,22).
What are the key properties of 5-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-(2-piperidin-1-ylethyl)-1H-pyrazole-3,5-diamine?
5-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-(2-piperidin-1-ylethyl)-1H-pyrazole-3,5-diamine has a molecular weight of 315.43 g/mol, XLogP of 2.65, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-(2-piperidin-1-ylethyl)-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 143259038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).