1,5-dimethyl-4-[[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]methyl]pyrrole-2-carbonitrile

C14H19N5 — CID 131930286

IUPAC1,5-dimethyl-4-[[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]methyl]pyrrole-2-carbonitrile
SMILESCc1[nH]ncc1CN(C)Cc1cc(C#N)n(C)c1C
InChIInChI=1S/C14H19N5/c1-10-13(7-16-17-10)9-18(3)8-12-5-14(6-15)19(4)11(12)2/h5,7H,8-9H2,1-4H3,(H,16,17)
InChIKeyCQLCMKULVJUHOS-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.87
Rot. Bonds4

About 1,5-dimethyl-4-[[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]methyl]pyrrole-2-carbonitrile

1,5-dimethyl-4-[[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]methyl]pyrrole-2-carbonitrile (PubChem CID 131930286) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 1,5-dimethyl-4-[[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]methyl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1,5-dimethyl-4-[[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]methyl]pyrrole-2-carbonitrile
PubChem CID131930286
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name1,5-dimethyl-4-[[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]methyl]pyrrole-2-carbonitrile
SMILESCc1[nH]ncc1CN(C)Cc1cc(C#N)n(C)c1C
InChIInChI=1S/C14H19N5/c1-10-13(7-16-17-10)9-18(3)8-12-5-14(6-15)19(4)11(12)2/h5,7H,8-9H2,1-4H3,(H,16,17)
InChIKeyCQLCMKULVJUHOS-UHFFFAOYSA-N
XLogP1.87
TPSA60.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,5-dimethyl-4-[[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]methyl]pyrrole-2-carbonitrile with MolForge

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Related Compounds

N'-methyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 162144971
2-iodo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 118972141
4-[(1H-indazol-5-ylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 75389926
2-[[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]methyl]benzoic acid
CID 77081201
3-(5-methyl-1H-pyrazol-4-yl)propanenitrile
CID 121212043
1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 131908366
4-[[(6-chloro-3-pyridinyl)amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 113353601
4-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 94778637
1,5-dimethyl-4-[(2,4,6-trimethylanilino)methyl]pyrrole-2-carbonitrile
CID 115977096
2-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylamino]-N-ethyl-N-methylacetamide
CID 104923511
1,5-dimethyl-4-[[3-(1H-1,2,4-triazol-5-yl)anilino]methyl]pyrrole-2-carbonitrile
CID 75432402
4-[[(5-ethyl-1,3-thiazol-2-yl)amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 75505661

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-[[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]methyl]pyrrole-2-carbonitrile?
The IUPAC name of 1,5-dimethyl-4-[[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]methyl]pyrrole-2-carbonitrile (CID 131930286) is 1,5-dimethyl-4-[[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]methyl]pyrrole-2-carbonitrile.
What is the SMILES notation for 1,5-dimethyl-4-[[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]methyl]pyrrole-2-carbonitrile?
The canonical SMILES for 1,5-dimethyl-4-[[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]methyl]pyrrole-2-carbonitrile is Cc1[nH]ncc1CN(C)Cc1cc(C#N)n(C)c1C.
What is the InChIKey of 1,5-dimethyl-4-[[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]methyl]pyrrole-2-carbonitrile?
The InChIKey is CQLCMKULVJUHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-10-13(7-16-17-10)9-18(3)8-12-5-14(6-15)19(4)11(12)2/h5,7H,8-9H2,1-4H3,(H,16,17).
What are the key properties of 1,5-dimethyl-4-[[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]methyl]pyrrole-2-carbonitrile?
1,5-dimethyl-4-[[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]methyl]pyrrole-2-carbonitrile has a molecular weight of 257.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-[[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]methyl]pyrrole-2-carbonitrile is sourced from PubChem (CID 131930286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).