N-[1-(5-chloro-3-pyridinyl)ethenyl]-5-prop-1-en-2-yl-1H-pyrazol-4-amine;1-(5-methyl-2-pyridinyl)piperazine

C23H28ClN7 — CID 154654627

IUPACN-[1-(5-chloro-3-pyridinyl)ethenyl]-5-prop-1-en-2-yl-1H-pyrazol-4-amine;1-(5-methyl-2-pyridinyl)piperazine
SMILESC=C(Nc1cn[nH]c1C(=C)C)c1cncc(Cl)c1.Cc1ccc(N2CCNCC2)nc1
InChIInChI=1S/C13H13ClN4.C10H15N3/c1-8(2)13-12(7-16-18-13)17-9(3)10-4-11(14)6-15-5-10;1-9-2-3-10(12-8-9)13-6-4-11-5-7-13/h4-7,17H,1,3H2,2H3,(H,16,18);2-3,8,11H,4-7H2,1H3
InChIKeyIJUSJPVIECQMNJ-UHFFFAOYSA-N
MW437.98 g/mol
LogP4.37
Rot. Bonds5

About N-[1-(5-chloro-3-pyridinyl)ethenyl]-5-prop-1-en-2-yl-1H-pyrazol-4-amine;1-(5-methyl-2-pyridinyl)piperazine

N-[1-(5-chloro-3-pyridinyl)ethenyl]-5-prop-1-en-2-yl-1H-pyrazol-4-amine;1-(5-methyl-2-pyridinyl)piperazine (PubChem CID 154654627) has the molecular formula C23H28ClN7 and a molecular weight of 437.98 g/mol. Its IUPAC name is N-[1-(5-chloro-3-pyridinyl)ethenyl]-5-prop-1-en-2-yl-1H-pyrazol-4-amine;1-(5-methyl-2-pyridinyl)piperazine.

Molecular Properties

Compound NameN-[1-(5-chloro-3-pyridinyl)ethenyl]-5-prop-1-en-2-yl-1H-pyrazol-4-amine;1-(5-methyl-2-pyridinyl)piperazine
PubChem CID154654627
Molecular FormulaC23H28ClN7
Molecular Weight437.98 g/mol
Exact Mass437.21
IUPAC NameN-[1-(5-chloro-3-pyridinyl)ethenyl]-5-prop-1-en-2-yl-1H-pyrazol-4-amine;1-(5-methyl-2-pyridinyl)piperazine
SMILESC=C(Nc1cn[nH]c1C(=C)C)c1cncc(Cl)c1.Cc1ccc(N2CCNCC2)nc1
InChIInChI=1S/C13H13ClN4.C10H15N3/c1-8(2)13-12(7-16-18-13)17-9(3)10-4-11(14)6-15-5-10;1-9-2-3-10(12-8-9)13-6-4-11-5-7-13/h4-7,17H,1,3H2,2H3,(H,16,18);2-3,8,11H,4-7H2,1H3
InChIKeyIJUSJPVIECQMNJ-UHFFFAOYSA-N
XLogP4.37
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.98
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-3-pyridinyl)ethenyl]-5-prop-1-en-2-yl-1H-pyrazol-4-amine;1-(5-methyl-2-pyridinyl)piperazine?
The IUPAC name of N-[1-(5-chloro-3-pyridinyl)ethenyl]-5-prop-1-en-2-yl-1H-pyrazol-4-amine;1-(5-methyl-2-pyridinyl)piperazine (CID 154654627) is N-[1-(5-chloro-3-pyridinyl)ethenyl]-5-prop-1-en-2-yl-1H-pyrazol-4-amine;1-(5-methyl-2-pyridinyl)piperazine.
What is the SMILES notation for N-[1-(5-chloro-3-pyridinyl)ethenyl]-5-prop-1-en-2-yl-1H-pyrazol-4-amine;1-(5-methyl-2-pyridinyl)piperazine?
The canonical SMILES for N-[1-(5-chloro-3-pyridinyl)ethenyl]-5-prop-1-en-2-yl-1H-pyrazol-4-amine;1-(5-methyl-2-pyridinyl)piperazine is C=C(Nc1cn[nH]c1C(=C)C)c1cncc(Cl)c1.Cc1ccc(N2CCNCC2)nc1.
What is the InChIKey of N-[1-(5-chloro-3-pyridinyl)ethenyl]-5-prop-1-en-2-yl-1H-pyrazol-4-amine;1-(5-methyl-2-pyridinyl)piperazine?
The InChIKey is IJUSJPVIECQMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4.C10H15N3/c1-8(2)13-12(7-16-18-13)17-9(3)10-4-11(14)6-15-5-10;1-9-2-3-10(12-8-9)13-6-4-11-5-7-13/h4-7,17H,1,3H2,2H3,(H,16,18);2-3,8,11H,4-7H2,1H3.
What are the key properties of N-[1-(5-chloro-3-pyridinyl)ethenyl]-5-prop-1-en-2-yl-1H-pyrazol-4-amine;1-(5-methyl-2-pyridinyl)piperazine?
N-[1-(5-chloro-3-pyridinyl)ethenyl]-5-prop-1-en-2-yl-1H-pyrazol-4-amine;1-(5-methyl-2-pyridinyl)piperazine has a molecular weight of 437.98 g/mol, XLogP of 4.37, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-3-pyridinyl)ethenyl]-5-prop-1-en-2-yl-1H-pyrazol-4-amine;1-(5-methyl-2-pyridinyl)piperazine is sourced from PubChem (CID 154654627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).