1-tert-butyl-5-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide

C19H32N4O2 — CID 120889149

IUPAC1-tert-butyl-5-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide
SMILESCOCC1(CNC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CCNCC1
InChIInChI=1S/C19H32N4O2/c1-18(2,3)23-16(14-5-6-14)11-15(22-23)17(24)21-12-19(13-25-4)7-9-20-10-8-19/h11,14,20H,5-10,12-13H2,1-4H3,(H,21,24)
InChIKeyBFORKVJLNSHRNB-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.26
Rot. Bonds6

About 1-tert-butyl-5-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide

1-tert-butyl-5-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide (PubChem CID 120889149) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-tert-butyl-5-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide
PubChem CID120889149
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name1-tert-butyl-5-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide
SMILESCOCC1(CNC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CCNCC1
InChIInChI=1S/C19H32N4O2/c1-18(2,3)23-16(14-5-6-14)11-15(22-23)17(24)21-12-19(13-25-4)7-9-20-10-8-19/h11,14,20H,5-10,12-13H2,1-4H3,(H,21,24)
InChIKeyBFORKVJLNSHRNB-UHFFFAOYSA-N
XLogP2.26
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-tert-butyl-5-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide with MolForge

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Related Compounds

2-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120891937
5-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 120890805
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 120888556
methyl 6-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]hexanoate
CID 51085909
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 120887142
1-tert-butyl-5-cyclopropyl-N-[2-(ethylamino)ethyl]pyrazole-3-carboxamide
CID 119504913
5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 120890188
1-tert-butyl-5-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrazole-3-carboxamide
CID 111436087
(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-piperazin-1-ylmethanone
CID 119400332
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide
CID 120887619
1-tert-butyl-5-cyclopropyl-N-methyl-N-piperidin-4-ylpyrazole-3-carboxamide
CID 119441384
1-tert-butyl-5-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]pyrazole-3-carboxamide
CID 94517659

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-5-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide (CID 120889149) is 1-tert-butyl-5-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-5-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide is COCC1(CNC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CCNCC1.
What is the InChIKey of 1-tert-butyl-5-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide?
The InChIKey is BFORKVJLNSHRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-18(2,3)23-16(14-5-6-14)11-15(22-23)17(24)21-12-19(13-25-4)7-9-20-10-8-19/h11,14,20H,5-10,12-13H2,1-4H3,(H,21,24).
What are the key properties of 1-tert-butyl-5-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide?
1-tert-butyl-5-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 120889149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).