tert-butyl N-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]carbamate

C16H22N4O2 — CID 103818455

IUPACtert-butyl N-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]carbamate
SMILESCc1[nH]ncc1CNc1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C16H22N4O2/c1-11-12(10-18-20-11)9-17-13-5-7-14(8-6-13)19-15(21)22-16(2,3)4/h5-8,10,17H,9H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyDRGBWIHYENICGL-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.68
Rot. Bonds4

About tert-butyl N-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]carbamate

tert-butyl N-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]carbamate (PubChem CID 103818455) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is tert-butyl N-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]carbamate
PubChem CID103818455
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Nametert-butyl N-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]carbamate
SMILESCc1[nH]ncc1CNc1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C16H22N4O2/c1-11-12(10-18-20-11)9-17-13-5-7-14(8-6-13)19-15(21)22-16(2,3)4/h5-8,10,17H,9H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyDRGBWIHYENICGL-UHFFFAOYSA-N
XLogP3.68
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107256000
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CID 43663626
4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
CID 43663501
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-yloxyaniline
CID 43663707
4-(2-methoxyethoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43734233
tert-butyl N-[4-(prop-2-enylamino)phenyl]carbamate
CID 112980140
N-[4-methoxy-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide
CID 43715781
tert-butyl N-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]carbamate
CID 103720141
tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate
CID 103818453
tert-butyl N-[4-[(pyridin-4-ylmethylamino)methyl]-1H-pyrazol-5-yl]carbamate
CID 107255989
2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-3-oxopropanoic acid
CID 82821092
tert-butyl N-[[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methyl]carbamate
CID 103695436

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]carbamate (CID 103818455) is tert-butyl N-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]carbamate is Cc1[nH]ncc1CNc1ccc(NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]carbamate?
The InChIKey is DRGBWIHYENICGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11-12(10-18-20-11)9-17-13-5-7-14(8-6-13)19-15(21)22-16(2,3)4/h5-8,10,17H,9H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of tert-butyl N-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]carbamate?
tert-butyl N-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]carbamate has a molecular weight of 302.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]carbamate is sourced from PubChem (CID 103818455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).