(1-tert-butylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

C18H25N5O — CID 56814683

IUPAC(1-tert-butylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESCC(C)(C)n1cc(C(=O)N2CCN(Cc3ccncc3)CC2)cn1
InChIInChI=1S/C18H25N5O/c1-18(2,3)23-14-16(12-20-23)17(24)22-10-8-21(9-11-22)13-15-4-6-19-7-5-15/h4-7,12,14H,8-11,13H2,1-3H3
InChIKeyKLKIQISSIDOBMS-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.99
Rot. Bonds3

About (1-tert-butylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

(1-tert-butylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 56814683) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is (1-tert-butylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-tert-butylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
PubChem CID56814683
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name(1-tert-butylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESCC(C)(C)n1cc(C(=O)N2CCN(Cc3ccncc3)CC2)cn1
InChIInChI=1S/C18H25N5O/c1-18(2,3)23-14-16(12-20-23)17(24)22-10-8-21(9-11-22)13-15-4-6-19-7-5-15/h4-7,12,14H,8-11,13H2,1-3H3
InChIKeyKLKIQISSIDOBMS-UHFFFAOYSA-N
XLogP1.99
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Cholesterol 24-hydroxylase-IN-1
CID 118450616
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 831914
1-Cyclohexyl-4-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperazine
CID 6619939
1-(4-(4-cyclopropyl-1H-pyrazol-1-yl)pyridin-3-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 118450464
N,N-dimethyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]piperidine-4-carboxamide
CID 118450657
N,N-dimethyl-1-(4-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide
CID 118450716
1-(4-(4-bromo-1H-pyrazol-1-yl)pyridin-3-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 118450728
1-(4-(4-chloro-1H-pyrazol-1-yl)pyridin-3-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 118450730
[2-(5-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone
CID 140268006
1-Phenyl-3-(3-pyridyl)pyrazol-4-yl piperidyl ketone
CID 880219
4-[1-phenyl-4-(1-piperidinylcarbonyl)-1H-pyrazol-3-yl]pyridine
CID 976901
3-[(3,4,5-trimethyl-1H-pyrazol-1-yl)carbonyl]pyridine
CID 3238427

Frequently Asked Questions

What is the IUPAC name of (1-tert-butylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (1-tert-butylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (CID 56814683) is (1-tert-butylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-tert-butylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-tert-butylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is CC(C)(C)n1cc(C(=O)N2CCN(Cc3ccncc3)CC2)cn1.
What is the InChIKey of (1-tert-butylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is KLKIQISSIDOBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-18(2,3)23-14-16(12-20-23)17(24)22-10-8-21(9-11-22)13-15-4-6-19-7-5-15/h4-7,12,14H,8-11,13H2,1-3H3.
What are the key properties of (1-tert-butylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
(1-tert-butylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 327.43 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56814683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).