N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine

C14H21F2N5 — CID 122167804

IUPACN-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)cc1NCc1cnn(CC(F)F)c1C
InChIInChI=1S/C14H21F2N5/c1-9(2)20-7-13(10(3)19-20)17-5-12-6-18-21(11(12)4)8-14(15)16/h6-7,9,14,17H,5,8H2,1-4H3
InChIKeySRJLKMXYXKAGKC-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.15
Rot. Bonds6

About N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine

N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine (PubChem CID 122167804) has the molecular formula C14H21F2N5 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
PubChem CID122167804
Molecular FormulaC14H21F2N5
Molecular Weight297.35 g/mol
Exact Mass297.18
IUPAC NameN-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)cc1NCc1cnn(CC(F)F)c1C
InChIInChI=1S/C14H21F2N5/c1-9(2)20-7-13(10(3)19-20)17-5-12-6-18-21(11(12)4)8-14(15)16/h6-7,9,14,17H,5,8H2,1-4H3
InChIKeySRJLKMXYXKAGKC-UHFFFAOYSA-N
XLogP3.15
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride
CID 126965744
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 122167187
N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride
CID 126967623
N-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 122168310
N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1,4-dimethylpyrazol-5-amine
CID 122167787
1-(2,2-difluoroethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 122167550
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 122166469
2-[3-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride
CID 126967551
5-methoxy-2-[[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]phenol
CID 165478717
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine
CID 122169227
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride
CID 126966978
3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine
CID 122169047

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine (CID 122167804) is N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine is Cc1nn(C(C)C)cc1NCc1cnn(CC(F)F)c1C.
What is the InChIKey of N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine?
The InChIKey is SRJLKMXYXKAGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N5/c1-9(2)20-7-13(10(3)19-20)17-5-12-6-18-21(11(12)4)8-14(15)16/h6-7,9,14,17H,5,8H2,1-4H3.
What are the key properties of N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine?
N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine has a molecular weight of 297.35 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 122167804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).