N-[[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine

C14H21ClN6 — CID 66192616

IUPACN-[[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCCc1nn(CC)c(Cn2cc(CNC3CC3)nn2)c1Cl
InChIInChI=1S/C14H21ClN6/c1-3-12-14(15)13(21(4-2)18-12)9-20-8-11(17-19-20)7-16-10-5-6-10/h8,10,16H,3-7,9H2,1-2H3
InChIKeyRCPZLDKKBZSSAD-UHFFFAOYSA-N
MW308.82 g/mol
LogP2.01
Rot. Bonds7

About N-[[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine

N-[[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine (PubChem CID 66192616) has the molecular formula C14H21ClN6 and a molecular weight of 308.82 g/mol. Its IUPAC name is N-[[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
PubChem CID66192616
Molecular FormulaC14H21ClN6
Molecular Weight308.82 g/mol
Exact Mass308.15
IUPAC NameN-[[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCCc1nn(CC)c(Cn2cc(CNC3CC3)nn2)c1Cl
InChIInChI=1S/C14H21ClN6/c1-3-12-14(15)13(21(4-2)18-12)9-20-8-11(17-19-20)7-16-10-5-6-10/h8,10,16H,3-7,9H2,1-2H3
InChIKeyRCPZLDKKBZSSAD-UHFFFAOYSA-N
XLogP2.01
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.82
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[(4-ethylphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66194177
N-[[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66402791
N-[[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193219
N-[[2-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81027132
N-[(1-benzyltriazol-4-yl)methyl]cyclopropanamine
CID 66193410
N-[[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 66194343
N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66192057
N-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193798
N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine
CID 66193005
N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66194558
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193207
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193225

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine (CID 66192616) is N-[[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine is CCc1nn(CC)c(Cn2cc(CNC3CC3)nn2)c1Cl.
What is the InChIKey of N-[[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is RCPZLDKKBZSSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN6/c1-3-12-14(15)13(21(4-2)18-12)9-20-8-11(17-19-20)7-16-10-5-6-10/h8,10,16H,3-7,9H2,1-2H3.
What are the key properties of N-[[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine?
N-[[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 308.82 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66192616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).