(3-tert-butyl-1-methylpyrazol-5-yl)-(1,4-diazepan-1-yl)methanone

C14H24N4O — CID 119417802

IUPAC(3-tert-butyl-1-methylpyrazol-5-yl)-(1,4-diazepan-1-yl)methanone
SMILESCn1nc(C(C)(C)C)cc1C(=O)N1CCCNCC1
InChIInChI=1S/C14H24N4O/c1-14(2,3)12-10-11(17(4)16-12)13(19)18-8-5-6-15-7-9-18/h10,15H,5-9H2,1-4H3
InChIKeyBTDLPVZWDSZPQS-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.15
Rot. Bonds1

About (3-tert-butyl-1-methylpyrazol-5-yl)-(1,4-diazepan-1-yl)methanone

(3-tert-butyl-1-methylpyrazol-5-yl)-(1,4-diazepan-1-yl)methanone (PubChem CID 119417802) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is (3-tert-butyl-1-methylpyrazol-5-yl)-(1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name(3-tert-butyl-1-methylpyrazol-5-yl)-(1,4-diazepan-1-yl)methanone
PubChem CID119417802
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name(3-tert-butyl-1-methylpyrazol-5-yl)-(1,4-diazepan-1-yl)methanone
SMILESCn1nc(C(C)(C)C)cc1C(=O)N1CCCNCC1
InChIInChI=1S/C14H24N4O/c1-14(2,3)12-10-11(17(4)16-12)13(19)18-8-5-6-15-7-9-18/h10,15H,5-9H2,1-4H3
InChIKeyBTDLPVZWDSZPQS-UHFFFAOYSA-N
XLogP1.15
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-tert-butyl-1-methylpyrazol-5-yl)-(4-methylazepan-1-yl)methanone
CID 86863782
6-tert-butyl-2-methyl-4-(piperazine-1-carbonyl)pyridazin-3-one
CID 82443516
(2,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119402592
N-[2-[4-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 23884204
(3-tert-butyl-1-methylpyrazol-5-yl)-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]methanone
CID 124609434
(3-tert-butyl-1-methylpyrazol-5-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 95754590
ethyl 1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)azepane-4-carboxylate
CID 46947984
1,4-diazepan-1-yl-(3-methylimidazol-4-yl)methanone
CID 83883938
(3-tert-butyl-1-methylpyrazol-5-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119398116
3-tert-butyl-1-methyl-N-(3-piperazin-1-ylpropyl)pyrazole-5-carboxamide
CID 119393784
3-tert-butyl-1-methyl-N-piperidin-4-ylpyrazole-5-carboxamide
CID 119389510
6-tert-butyl-2-ethyl-4-(piperazine-1-carbonyl)pyridazin-3-one
CID 82443575

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-1-methylpyrazol-5-yl)-(1,4-diazepan-1-yl)methanone?
The IUPAC name of (3-tert-butyl-1-methylpyrazol-5-yl)-(1,4-diazepan-1-yl)methanone (CID 119417802) is (3-tert-butyl-1-methylpyrazol-5-yl)-(1,4-diazepan-1-yl)methanone.
What is the SMILES notation for (3-tert-butyl-1-methylpyrazol-5-yl)-(1,4-diazepan-1-yl)methanone?
The canonical SMILES for (3-tert-butyl-1-methylpyrazol-5-yl)-(1,4-diazepan-1-yl)methanone is Cn1nc(C(C)(C)C)cc1C(=O)N1CCCNCC1.
What is the InChIKey of (3-tert-butyl-1-methylpyrazol-5-yl)-(1,4-diazepan-1-yl)methanone?
The InChIKey is BTDLPVZWDSZPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-14(2,3)12-10-11(17(4)16-12)13(19)18-8-5-6-15-7-9-18/h10,15H,5-9H2,1-4H3.
What are the key properties of (3-tert-butyl-1-methylpyrazol-5-yl)-(1,4-diazepan-1-yl)methanone?
(3-tert-butyl-1-methylpyrazol-5-yl)-(1,4-diazepan-1-yl)methanone has a molecular weight of 264.37 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-1-methylpyrazol-5-yl)-(1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 119417802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).