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

C14H16BrN5O — CID 19572632

IUPAC(4-bromo-1H-pyrazol-5-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1[nH]ncc1Br)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C14H16BrN5O/c15-12-9-17-18-13(12)14(21)20-6-4-19(5-7-20)10-11-2-1-3-16-8-11/h1-3,8-9H,4-7,10H2,(H,17,18)
InChIKeySUBIDDBESASGAY-UHFFFAOYSA-N
MW350.22 g/mol
LogP1.53
Rot. Bonds3

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

(4-bromo-1H-pyrazol-5-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 19572632) has the molecular formula C14H16BrN5O and a molecular weight of 350.22 g/mol. Its IUPAC name is (4-bromo-1H-pyrazol-5-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-1H-pyrazol-5-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID19572632
Molecular FormulaC14H16BrN5O
Molecular Weight350.22 g/mol
Exact Mass349.05
IUPAC Name(4-bromo-1H-pyrazol-5-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1[nH]ncc1Br)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C14H16BrN5O/c15-12-9-17-18-13(12)14(21)20-6-4-19(5-7-20)10-11-2-1-3-16-8-11/h1-3,8-9H,4-7,10H2,(H,17,18)
InChIKeySUBIDDBESASGAY-UHFFFAOYSA-N
XLogP1.53
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-pyrazol-4-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 60785975
(4,5-dibromo-1H-pyrazol-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 19572698
(2,6-dimethoxyphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 1112890
(2-iodophenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 19572564
N-(2-bromophenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108531
(4-bromo-1H-pyrazol-5-yl)-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19514863
(5-nitro-1H-pyrazol-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 135836274
benzyl 4-(pyridin-3-ylmethyl)piperazine-1-carboxylate
CID 110709124
(2,3-dichlorophenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 19574158
methyl 4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]benzoate
CID 19572760
(4-propan-2-ylphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 110709119
[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[2-(tetrazolidin-5-yl)phenyl]methanone
CID 133108283

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1H-pyrazol-5-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-bromo-1H-pyrazol-5-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone (CID 19572632) is (4-bromo-1H-pyrazol-5-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-bromo-1H-pyrazol-5-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-bromo-1H-pyrazol-5-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone is O=C(c1[nH]ncc1Br)N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of (4-bromo-1H-pyrazol-5-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is SUBIDDBESASGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5O/c15-12-9-17-18-13(12)14(21)20-6-4-19(5-7-20)10-11-2-1-3-16-8-11/h1-3,8-9H,4-7,10H2,(H,17,18).
What are the key properties of (4-bromo-1H-pyrazol-5-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
(4-bromo-1H-pyrazol-5-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 350.22 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1H-pyrazol-5-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 19572632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).