N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine

C21H33N5 — CID 16677092

IUPACN-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine
SMILESCCN1CCCC1CN(Cc1ccccn1)Cc1cn[nH]c1C(C)(C)C
InChIInChI=1S/C21H33N5/c1-5-26-12-8-10-19(26)16-25(15-18-9-6-7-11-22-18)14-17-13-23-24-20(17)21(2,3)4/h6-7,9,11,13,19H,5,8,10,12,14-16H2,1-4H3,(H,23,24)
InChIKeyQBHGCPOOLWIGCX-UHFFFAOYSA-N
MW355.53 g/mol
LogP3.59
Rot. Bonds7

About N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine

N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 16677092) has the molecular formula C21H33N5 and a molecular weight of 355.53 g/mol. Its IUPAC name is N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine
PubChem CID16677092
Molecular FormulaC21H33N5
Molecular Weight355.53 g/mol
Exact Mass355.27
IUPAC NameN-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine
SMILESCCN1CCCC1CN(Cc1ccccn1)Cc1cn[nH]c1C(C)(C)C
InChIInChI=1S/C21H33N5/c1-5-26-12-8-10-19(26)16-25(15-18-9-6-7-11-22-18)14-17-13-23-24-20(17)21(2,3)4/h6-7,9,11,13,19H,5,8,10,12,14-16H2,1-4H3,(H,23,24)
InChIKeyQBHGCPOOLWIGCX-UHFFFAOYSA-N
XLogP3.59
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1-ethylpyrrolidin-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 16676879
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine
CID 51631550
1-(1-ethylpyrrolidin-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)methanamine
CID 46961939
1-(1-ethylpyrrolidin-2-yl)-N-[(5-phenyltriazolidin-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine
CID 73305871
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,2-dimethyl-3-morpholin-4-yl-N-(pyridin-2-ylmethyl)propan-1-amine
CID 51595242
N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 16677094
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[2-[(2S)-oxan-2-yl]pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine
CID 51595296
N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171670970
N-benzyl-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 51631520
N-[(2-chlorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 46961800
N-[(2-chlorophenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 51623399
2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-hydroxyphenyl)methyl-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]amino]methyl]phenol
CID 139171103

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine (CID 16677092) is N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine is CCN1CCCC1CN(Cc1ccccn1)Cc1cn[nH]c1C(C)(C)C.
What is the InChIKey of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is QBHGCPOOLWIGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5/c1-5-26-12-8-10-19(26)16-25(15-18-9-6-7-11-22-18)14-17-13-23-24-20(17)21(2,3)4/h6-7,9,11,13,19H,5,8,10,12,14-16H2,1-4H3,(H,23,24).
What are the key properties of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine?
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 355.53 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 16677092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).