4-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine

C16H23N7 — CID 100652732

IUPAC4-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
SMILESCc1cc(N2CCN(c3cc(N4CCCC4)ncn3)CC2)n[nH]1
InChIInChI=1S/C16H23N7/c1-13-10-16(20-19-13)23-8-6-22(7-9-23)15-11-14(17-12-18-15)21-4-2-3-5-21/h10-12H,2-9H2,1H3,(H,19,20)
InChIKeyOUQNHYLXTZBYGS-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.43
Rot. Bonds3

About 4-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine

4-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine (PubChem CID 100652732) has the molecular formula C16H23N7 and a molecular weight of 313.41 g/mol. Its IUPAC name is 4-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
PubChem CID100652732
Molecular FormulaC16H23N7
Molecular Weight313.41 g/mol
Exact Mass313.20
IUPAC Name4-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
SMILESCc1cc(N2CCN(c3cc(N4CCCC4)ncn3)CC2)n[nH]1
InChIInChI=1S/C16H23N7/c1-13-10-16(20-19-13)23-8-6-22(7-9-23)15-11-14(17-12-18-15)21-4-2-3-5-21/h10-12H,2-9H2,1H3,(H,19,20)
InChIKeyOUQNHYLXTZBYGS-UHFFFAOYSA-N
XLogP1.43
TPSA64.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine (CID 100652732) is 4-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine is Cc1cc(N2CCN(c3cc(N4CCCC4)ncn3)CC2)n[nH]1.
What is the InChIKey of 4-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is OUQNHYLXTZBYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7/c1-13-10-16(20-19-13)23-8-6-22(7-9-23)15-11-14(17-12-18-15)21-4-2-3-5-21/h10-12H,2-9H2,1H3,(H,19,20).
What are the key properties of 4-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine?
4-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 313.41 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 100652732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).