1-tert-butyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide

C16H28N4O — CID 94823029

IUPAC1-tert-butyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
SMILESCC(C)N1CC[C@H](CNC(=O)c2cnn(C(C)(C)C)c2)C1
InChIInChI=1S/C16H28N4O/c1-12(2)19-7-6-13(10-19)8-17-15(21)14-9-18-20(11-14)16(3,4)5/h9,11-13H,6-8,10H2,1-5H3,(H,17,21)/t13-/m1/s1
InChIKeyKTTFZZXMFNGGRX-CYBMUJFWSA-N
MW292.43 g/mol
LogP2.10
Rot. Bonds4

About 1-tert-butyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide

1-tert-butyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide (PubChem CID 94823029) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-tert-butyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
PubChem CID94823029
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-tert-butyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
SMILESCC(C)N1CC[C@H](CNC(=O)c2cnn(C(C)(C)C)c2)C1
InChIInChI=1S/C16H28N4O/c1-12(2)19-7-6-13(10-19)8-17-15(21)14-9-18-20(11-14)16(3,4)5/h9,11-13H,6-8,10H2,1-5H3,(H,17,21)/t13-/m1/s1
InChIKeyKTTFZZXMFNGGRX-CYBMUJFWSA-N
XLogP2.10
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(dimethylamino)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 95591154
1-tert-butyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrazole-4-carboxamide
CID 49214504
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 60598298
N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 125137746
4-bromo-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 115770297
5-amino-1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide
CID 115330698
1-tert-butyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119510024
4-amino-3,5-difluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 63185116
4-bromo-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide
CID 61208730
4-amino-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 63103599
2-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-4-carboxamide
CID 103764726
4-amino-6-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 81243278

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide (CID 94823029) is 1-tert-butyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide is CC(C)N1CC[C@H](CNC(=O)c2cnn(C(C)(C)C)c2)C1.
What is the InChIKey of 1-tert-butyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is KTTFZZXMFNGGRX-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12(2)19-7-6-13(10-19)8-17-15(21)14-9-18-20(11-14)16(3,4)5/h9,11-13H,6-8,10H2,1-5H3,(H,17,21)/t13-/m1/s1.
What are the key properties of 1-tert-butyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide?
1-tert-butyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 94823029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).