1-tert-butyl-N-[4-[(3R)-3-methylpiperidin-1-yl]butyl]pyrazole-4-carboxamide

C18H32N4O — CID 94836244

IUPAC1-tert-butyl-N-[4-[(3R)-3-methylpiperidin-1-yl]butyl]pyrazole-4-carboxamide
SMILESC[C@@H]1CCCN(CCCCNC(=O)c2cnn(C(C)(C)C)c2)C1
InChIInChI=1S/C18H32N4O/c1-15-8-7-11-21(13-15)10-6-5-9-19-17(23)16-12-20-22(14-16)18(2,3)4/h12,14-15H,5-11,13H2,1-4H3,(H,19,23)/t15-/m1/s1
InChIKeyAQRFFRWOKPNDKF-OAHLLOKOSA-N
MW320.48 g/mol
LogP2.88
Rot. Bonds6

About 1-tert-butyl-N-[4-[(3R)-3-methylpiperidin-1-yl]butyl]pyrazole-4-carboxamide

1-tert-butyl-N-[4-[(3R)-3-methylpiperidin-1-yl]butyl]pyrazole-4-carboxamide (PubChem CID 94836244) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-tert-butyl-N-[4-[(3R)-3-methylpiperidin-1-yl]butyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[4-[(3R)-3-methylpiperidin-1-yl]butyl]pyrazole-4-carboxamide
PubChem CID94836244
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name1-tert-butyl-N-[4-[(3R)-3-methylpiperidin-1-yl]butyl]pyrazole-4-carboxamide
SMILESC[C@@H]1CCCN(CCCCNC(=O)c2cnn(C(C)(C)C)c2)C1
InChIInChI=1S/C18H32N4O/c1-15-8-7-11-21(13-15)10-6-5-9-19-17(23)16-12-20-22(14-16)18(2,3)4/h12,14-15H,5-11,13H2,1-4H3,(H,19,23)/t15-/m1/s1
InChIKeyAQRFFRWOKPNDKF-OAHLLOKOSA-N
XLogP2.88
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide
CID 51085868
N-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115800
3,4-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693
N-[4-(3-methylpiperidin-1-yl)butyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 55717539
1-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]butyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 94467076
1-tert-butyl-N-[3-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride
CID 119429695
3-(methanesulfonamido)-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 55717869
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022375
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022373
N-[4-(3-methylpiperidin-1-yl)butyl]-1H-pyrazole-5-carboxamide
CID 56818106
2,2-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]propanamide
CID 94119599

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[4-[(3R)-3-methylpiperidin-1-yl]butyl]pyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-N-[4-[(3R)-3-methylpiperidin-1-yl]butyl]pyrazole-4-carboxamide (CID 94836244) is 1-tert-butyl-N-[4-[(3R)-3-methylpiperidin-1-yl]butyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[4-[(3R)-3-methylpiperidin-1-yl]butyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[4-[(3R)-3-methylpiperidin-1-yl]butyl]pyrazole-4-carboxamide is C[C@@H]1CCCN(CCCCNC(=O)c2cnn(C(C)(C)C)c2)C1.
What is the InChIKey of 1-tert-butyl-N-[4-[(3R)-3-methylpiperidin-1-yl]butyl]pyrazole-4-carboxamide?
The InChIKey is AQRFFRWOKPNDKF-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H32N4O/c1-15-8-7-11-21(13-15)10-6-5-9-19-17(23)16-12-20-22(14-16)18(2,3)4/h12,14-15H,5-11,13H2,1-4H3,(H,19,23)/t15-/m1/s1.
What are the key properties of 1-tert-butyl-N-[4-[(3R)-3-methylpiperidin-1-yl]butyl]pyrazole-4-carboxamide?
1-tert-butyl-N-[4-[(3R)-3-methylpiperidin-1-yl]butyl]pyrazole-4-carboxamide has a molecular weight of 320.48 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[4-[(3R)-3-methylpiperidin-1-yl]butyl]pyrazole-4-carboxamide is sourced from PubChem (CID 94836244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).