N,N,1,3-tetramethyl-4-[[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine

C20H31N5 — CID 51104874

IUPACN,N,1,3-tetramethyl-4-[[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CNCc1cccc(CN2CCCC2)c1
InChIInChI=1S/C20H31N5/c1-16-19(20(23(2)3)24(4)22-16)14-21-13-17-8-7-9-18(12-17)15-25-10-5-6-11-25/h7-9,12,21H,5-6,10-11,13-15H2,1-4H3
InChIKeyKIXWEDBYJPOXEY-UHFFFAOYSA-N
MW341.50 g/mol
LogP2.68
Rot. Bonds7

About N,N,1,3-tetramethyl-4-[[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine

N,N,1,3-tetramethyl-4-[[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine (PubChem CID 51104874) has the molecular formula C20H31N5 and a molecular weight of 341.50 g/mol. Its IUPAC name is N,N,1,3-tetramethyl-4-[[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine.

Molecular Properties

Compound NameN,N,1,3-tetramethyl-4-[[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine
PubChem CID51104874
Molecular FormulaC20H31N5
Molecular Weight341.50 g/mol
Exact Mass341.26
IUPAC NameN,N,1,3-tetramethyl-4-[[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CNCc1cccc(CN2CCCC2)c1
InChIInChI=1S/C20H31N5/c1-16-19(20(23(2)3)24(4)22-16)14-21-13-17-8-7-9-18(12-17)15-25-10-5-6-11-25/h7-9,12,21H,5-6,10-11,13-15H2,1-4H3
InChIKeyKIXWEDBYJPOXEY-UHFFFAOYSA-N
XLogP2.68
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N,1,3-tetramethyl-4-[[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine with MolForge

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Related Compounds

N,N,1,3-tetramethyl-4-[[(4-piperidin-1-ylphenyl)methylamino]methyl]pyrazol-5-amine
CID 51105393
(3R)-1-[[3-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 124552710
4-[[(2-chlorophenyl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51104667
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine
CID 51105192
1-[(3-fluorophenyl)methyl]-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
CID 56895511
(3S)-1-[[3-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 124684329
3-[[[3-(azepan-1-ylmethyl)phenyl]methylamino]methyl]benzoic acid
CID 122030822
4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51104795
N-[[5-(4-benzylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 113222994
2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetic acid
CID 126604086
N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 51105129
N,N,1,3-tetramethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine
CID 43281251

Frequently Asked Questions

What is the IUPAC name of N,N,1,3-tetramethyl-4-[[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine?
The IUPAC name of N,N,1,3-tetramethyl-4-[[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine (CID 51104874) is N,N,1,3-tetramethyl-4-[[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine.
What is the SMILES notation for N,N,1,3-tetramethyl-4-[[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine?
The canonical SMILES for N,N,1,3-tetramethyl-4-[[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine is Cc1nn(C)c(N(C)C)c1CNCc1cccc(CN2CCCC2)c1.
What is the InChIKey of N,N,1,3-tetramethyl-4-[[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine?
The InChIKey is KIXWEDBYJPOXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5/c1-16-19(20(23(2)3)24(4)22-16)14-21-13-17-8-7-9-18(12-17)15-25-10-5-6-11-25/h7-9,12,21H,5-6,10-11,13-15H2,1-4H3.
What are the key properties of N,N,1,3-tetramethyl-4-[[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine?
N,N,1,3-tetramethyl-4-[[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine has a molecular weight of 341.50 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,3-tetramethyl-4-[[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine is sourced from PubChem (CID 51104874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).