(4,5-dibromo-1H-pyrazol-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone

C14H15Br2N5O — CID 19572698

IUPAC(4,5-dibromo-1H-pyrazol-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1n[nH]c(Br)c1Br)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C14H15Br2N5O/c15-11-12(18-19-13(11)16)14(22)21-6-4-20(5-7-21)9-10-2-1-3-17-8-10/h1-3,8H,4-7,9H2,(H,18,19)
InChIKeyIPMYEVWUWYGRNG-UHFFFAOYSA-N
MW429.12 g/mol
LogP2.29
Rot. Bonds3

About (4,5-dibromo-1H-pyrazol-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone

(4,5-dibromo-1H-pyrazol-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 19572698) has the molecular formula C14H15Br2N5O and a molecular weight of 429.12 g/mol. Its IUPAC name is (4,5-dibromo-1H-pyrazol-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4,5-dibromo-1H-pyrazol-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID19572698
Molecular FormulaC14H15Br2N5O
Molecular Weight429.12 g/mol
Exact Mass426.96
IUPAC Name(4,5-dibromo-1H-pyrazol-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1n[nH]c(Br)c1Br)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C14H15Br2N5O/c15-11-12(18-19-13(11)16)14(22)21-6-4-20(5-7-21)9-10-2-1-3-17-8-10/h1-3,8H,4-7,9H2,(H,18,19)
InChIKeyIPMYEVWUWYGRNG-UHFFFAOYSA-N
XLogP2.29
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.12
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4,5-dibromo-1H-pyrazol-3-yl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19297149
(4-chloro-5-methyl-1H-pyrazol-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 119063045
(4-bromo-1H-pyrazol-5-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 19572632
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(4,5-dibromo-1H-pyrazol-3-yl)methanone
CID 19333492
(4,5-dibromo-1H-pyrazol-3-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19514929
1H-pyrazol-4-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 60785975
(4-methylpiperazin-1-yl)-[6-(pyridin-3-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
CID 97389003
(2-iodophenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 19572564
2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 46684654
(2,6-dimethoxyphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 1112890
(5-nitro-1H-pyrazol-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 135836274
(4-propan-2-ylphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 110709119

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromo-1H-pyrazol-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (4,5-dibromo-1H-pyrazol-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone (CID 19572698) is (4,5-dibromo-1H-pyrazol-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4,5-dibromo-1H-pyrazol-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4,5-dibromo-1H-pyrazol-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone is O=C(c1n[nH]c(Br)c1Br)N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of (4,5-dibromo-1H-pyrazol-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is IPMYEVWUWYGRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2N5O/c15-11-12(18-19-13(11)16)14(22)21-6-4-20(5-7-21)9-10-2-1-3-17-8-10/h1-3,8H,4-7,9H2,(H,18,19).
What are the key properties of (4,5-dibromo-1H-pyrazol-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
(4,5-dibromo-1H-pyrazol-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 429.12 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromo-1H-pyrazol-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 19572698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).